 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_B3LYPDBJ-def2SVPDr.in
 Output=34_Cutfc2_180_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/34_Cutfc2_180_STD/Gau-6851.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6852.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=120GB
 %chk=34_Cutfc2_180_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 17:38:30 2021, MaxMem= 16106127360 cpu:               2.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 17:38:31 2021, MaxMem= 16106127360 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Thu Jul 22 17:38:31 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 5 1.00
     Exponent=  2.8948325990D+03 Coefficients= -5.3408255515D-03
     Exponent=  4.3541939120D+02 Coefficients= -3.9904258866D-02
     Exponent=  9.8843328866D+01 Coefficients= -1.7912768038D-01
     Exponent=  2.7485198001D+01 Coefficients= -4.6758090825D-01
     Exponent=  8.5405498171D+00 Coefficients= -4.4653131020D-01
 S 1 1.00
     Exponent=  1.0654578038D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3247346748D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8097752264D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  2.2696633924D+01 Coefficients= -4.5212874436D-02
     Exponent=  4.9872339257D+00 Coefficients= -2.3754317067D-01
     Exponent=  1.3491613954D+00 Coefficients= -5.1287353587D-01
 P 1 1.00
     Exponent=  3.4829881977D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.3372148304D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.2301361948D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 6 1.00
     Exponent=  7.6381348056D+04 Coefficients=  1.4336079896D-03
     Exponent=  1.1468777499D+04 Coefficients=  1.0986749865D-02
     Exponent=  2.6094246495D+03 Coefficients=  5.4513652465D-02
     Exponent=  7.3675033098D+02 Coefficients=  1.8990128258D-01
     Exponent=  2.3982419958D+02 Coefficients=  3.8581959211D-01
     Exponent=  8.2656829252D+01 Coefficients=  2.9790607498D-01
 S 3 1.00
     Exponent=  1.6013544196D+02 Coefficients= -1.1146778567D-01
     Exponent=  1.8834177695D+01 Coefficients=  6.5349301031D-01
     Exponent=  7.7176595741D+00 Coefficients=  4.4770534421D-01
 S 3 1.00
     Exponent=  1.3710846717D+01 Coefficients= -2.2870911122D-01
     Exponent=  2.2349895670D+00 Coefficients=  7.3464423031D-01
     Exponent=  8.7818360069D-01 Coefficients=  4.3273070874D-01
 S 1 1.00
     Exponent=  8.7187458064D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.2969114665D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  9.9124075782D+02 Coefficients=  9.3878498798D-03
     Exponent=  2.3369376116D+02 Coefficients=  7.0208282458D-02
     Exponent=  7.4020930927D+01 Coefficients=  2.7323522220D-01
     Exponent=  2.6664967447D+01 Coefficients=  5.3580792728D-01
     Exponent=  9.9192087478D+00 Coefficients=  3.4575794906D-01
 P 3 1.00
     Exponent=  5.1519553926D+00 Coefficients=  3.4229108083D-01
     Exponent=  1.9638205828D+00 Coefficients=  5.6456592484D-01
     Exponent=  7.1560097037D-01 Coefficients=  2.4078584318D-01
 P 1 1.00
     Exponent=  1.5506500000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8734214974D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.7335049590D+01 Coefficients=  3.2375547758D-02
     Exponent=  1.3161666077D+01 Coefficients=  1.6810218684D-01
     Exponent=  4.3693777244D+00 Coefficients=  3.8477707982D-01
     Exponent=  1.4132925109D+00 Coefficients=  4.6147880178D-01
 D 1 1.00
     Exponent=  3.8878001452D-01 Coefficients=  3.2388873258D-01
 F 1 1.00
     Exponent=  2.2330000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are  1041 symmetry adapted cartesian basis functions of A   symmetry.
 There are   968 symmetry adapted basis functions of A   symmetry.
   968 basis functions,  1482 primitive gaussians,  1041 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1489454790 Hartrees.
 Nuclear repulsion after empirical dispersion term =     4927.3255491611 Hartrees.
 Leave Link  301 at Thu Jul 22 17:38:32 2021, MaxMem= 16106127360 cpu:               8.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   968 RedAO= T EigKep=  1.03D-06  NBF=   968
 NBsUse=   968 1.00D-06 EigRej= -1.00D+00 NBFU=   968
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1012  1012  1012  1012  1012 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Thu Jul 22 17:38:36 2021, MaxMem= 16106127360 cpu:              40.3 elap:               3.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 17:38:37 2021, MaxMem= 16106127360 cpu:               4.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7526 S= 0.5013
 Leave Link  401 at Thu Jul 22 17:38:47 2021, MaxMem= 16106127360 cpu:             112.7 elap:               9.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16103937761 LenY= 16102853039
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3470.67057199346    
 DIIS: error= 3.00D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3470.67057199346     IErMin= 1 ErrMin= 3.00D-03
 ErrMax= 3.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-01 BMatP= 1.76D-01
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.00D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.165 Goal=   None    Shift=    0.000
 Gap=     0.093 Goal=   None    Shift=    0.000
 GapD=    0.093 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=2.22D-02 MaxDP=5.12D+00              OVMax= 4.57D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.62D-03    CP:  1.12D+00
 E= -3470.68422302923     Delta-E=       -0.013651035773 Rises=F Damp=T
 DIIS: error= 1.51D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3470.68422302923     IErMin= 2 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-02 BMatP= 1.76D-01
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com: -0.363D+00 0.136D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.357D+00 0.136D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.139 Goal=   None    Shift=    0.000
 RMSDP=1.06D-02 MaxDP=2.45D+00 DE=-1.37D-02 OVMax= 1.11D-01

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.43D-03    CP:  1.22D+00  1.94D+00
 E= -3470.67934907967     Delta-E=        0.004873949556 Rises=F Damp=F
 DIIS: error= 6.48D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -3470.68422302923     IErMin= 2 ErrMin= 1.51D-03
 ErrMax= 6.48D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-01 BMatP= 4.54D-02
 IDIUse=3 WtCom= 1.10D-01 WtEn= 8.90D-01
 Coeff-Com: -0.567D+00 0.119D+01 0.376D+00
 Coeff-En:   0.000D+00 0.606D+00 0.394D+00
 Coeff:     -0.626D-01 0.671D+00 0.392D+00
 Gap=     0.167 Goal=   None    Shift=    0.000
 Gap=     0.088 Goal=   None    Shift=    0.000
 RMSDP=2.97D-03 MaxDP=2.88D-01 DE= 4.87D-03 OVMax= 9.23D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.95D-04    CP:  1.24D+00  2.06D+00 -8.22D-02
 E= -3470.69000652498     Delta-E=       -0.010657445308 Rises=F Damp=F
 DIIS: error= 5.31D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3470.69000652498     IErMin= 2 ErrMin= 1.51D-03
 ErrMax= 5.31D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-02 BMatP= 4.54D-02
 IDIUse=3 WtCom= 1.21D-01 WtEn= 8.79D-01
 Coeff-Com: -0.165D+00 0.316D+00 0.409D+00 0.441D+00
 Coeff-En:   0.000D+00 0.000D+00 0.388D+00 0.612D+00
 Coeff:     -0.200D-01 0.381D-01 0.391D+00 0.591D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.114 Goal=   None    Shift=    0.000
 RMSDP=1.44D-03 MaxDP=1.17D-01 DE=-1.07D-02 OVMax= 5.90D-02

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  1.23D+00  2.02D+00  4.70D-01  5.48D-01
 E= -3470.70066213331     Delta-E=       -0.010655608330 Rises=F Damp=F
 DIIS: error= 1.00D-03 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3470.70066213331     IErMin= 5 ErrMin= 1.00D-03
 ErrMax= 1.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.97D-03 BMatP= 4.54D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.00D-02
 Coeff-Com:  0.470D-01-0.101D+00 0.163D+00 0.377D+00 0.514D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.628D-01 0.937D+00
 Coeff:      0.465D-01-0.100D+00 0.162D+00 0.374D+00 0.518D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.73D-04 MaxDP=3.13D-02 DE=-1.07D-02 OVMax= 9.07D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.74D-05    CP:  1.23D+00  2.03D+00  3.80D-01  7.67D-01  8.29D-01
 E= -3470.70121462267     Delta-E=       -0.000552489360 Rises=F Damp=F
 DIIS: error= 7.62D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3470.70121462267     IErMin= 6 ErrMin= 7.62D-05
 ErrMax= 7.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-05 BMatP= 3.97D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.627D-01-0.125D+00-0.634D-02 0.122D+00 0.336D+00 0.611D+00
 Coeff:      0.627D-01-0.125D+00-0.634D-02 0.122D+00 0.336D+00 0.611D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=6.53D-05 MaxDP=1.44D-02 DE=-5.52D-04 OVMax= 1.32D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  1.23D+00  2.03D+00  3.73D-01  7.55D-01  8.26D-01
                    CP:  6.06D-01
 E= -3470.70122736077     Delta-E=       -0.000012738103 Rises=F Damp=F
 DIIS: error= 4.35D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3470.70122736077     IErMin= 7 ErrMin= 4.35D-05
 ErrMax= 4.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-05 BMatP= 9.32D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.326D-01-0.638D-01-0.276D-01 0.289D-01 0.149D+00 0.428D+00
 Coeff-Com:  0.453D+00
 Coeff:      0.326D-01-0.638D-01-0.276D-01 0.289D-01 0.149D+00 0.428D+00
 Coeff:      0.453D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.71D-05 MaxDP=1.68D-03 DE=-1.27D-05 OVMax= 7.13D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.06D-06    CP:  1.23D+00  2.03D+00  3.69D-01  7.68D-01  8.26D-01
                    CP:  7.08D-01  6.34D-01
 E= -3470.70123264438     Delta-E=       -0.000005283604 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3470.70123264438     IErMin= 8 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-06 BMatP= 2.97D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.418D-02-0.786D-02-0.981D-02-0.100D-02 0.147D-01 0.982D-01
 Coeff-Com:  0.192D+00 0.709D+00
 Coeff:      0.418D-02-0.786D-02-0.981D-02-0.100D-02 0.147D-01 0.982D-01
 Coeff:      0.192D+00 0.709D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=9.27D-06 MaxDP=9.23D-04 DE=-5.28D-06 OVMax= 2.63D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.20D-06    CP:  1.23D+00  2.03D+00  3.67D-01  7.72D-01  8.27D-01
                    CP:  7.33D-01  7.51D-01  9.25D-01
 E= -3470.70123296324     Delta-E=       -0.000000318867 Rises=F Damp=F
 DIIS: error= 8.08D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3470.70123296324     IErMin= 9 ErrMin= 8.08D-06
 ErrMax= 8.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-07 BMatP= 2.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-02 0.731D-02-0.195D-02-0.653D-02-0.208D-01-0.161D-01
 Coeff-Com:  0.458D-01 0.494D+00 0.502D+00
 Coeff:     -0.362D-02 0.731D-02-0.195D-02-0.653D-02-0.208D-01-0.161D-01
 Coeff:      0.458D-01 0.494D+00 0.502D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.38D-06 MaxDP=5.97D-04 DE=-3.19D-07 OVMax= 1.54D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.40D-06    CP:  1.23D+00  2.03D+00  3.65D-01  7.71D-01  8.22D-01
                    CP:  7.37D-01  7.41D-01  1.05D+00  7.80D-01
 E= -3470.70123310541     Delta-E=       -0.000000142165 Rises=F Damp=F
 DIIS: error= 3.75D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3470.70123310541     IErMin=10 ErrMin= 3.75D-06
 ErrMax= 3.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-07 BMatP= 7.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.296D-02 0.585D-02 0.650D-03-0.380D-02-0.167D-01-0.341D-01
 Coeff-Com: -0.186D-01 0.131D+00 0.280D+00 0.659D+00
 Coeff:     -0.296D-02 0.585D-02 0.650D-03-0.380D-02-0.167D-01-0.341D-01
 Coeff:     -0.186D-01 0.131D+00 0.280D+00 0.659D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.49D-06 MaxDP=3.28D-04 DE=-1.42D-07 OVMax= 5.96D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.06D-07    CP:  1.23D+00  2.03D+00  3.65D-01  7.73D-01  8.20D-01
                    CP:  7.41D-01  7.72D-01  1.10D+00  8.66D-01  9.27D-01
 E= -3470.70123312415     Delta-E=       -0.000000018745 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3470.70123312415     IErMin=11 ErrMin= 1.20D-06
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-08 BMatP= 1.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-02 0.258D-02 0.681D-03-0.143D-02-0.778D-02-0.204D-01
 Coeff-Com: -0.208D-01 0.191D-04 0.969D-01 0.430D+00 0.522D+00
 Coeff:     -0.131D-02 0.258D-02 0.681D-03-0.143D-02-0.778D-02-0.204D-01
 Coeff:     -0.208D-01 0.191D-04 0.969D-01 0.430D+00 0.522D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=8.40D-07 MaxDP=1.38D-04 DE=-1.87D-08 OVMax= 2.08D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.57D-07    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.41D-01  7.81D-01  1.12D+00  8.94D-01  9.15D-01
                    CP:  8.58D-01
 E= -3470.70123312662     Delta-E=       -0.000000002467 Rises=F Damp=F
 DIIS: error= 2.87D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3470.70123312662     IErMin=12 ErrMin= 2.87D-07
 ErrMax= 2.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-09 BMatP= 1.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03 0.210D-03 0.198D-03-0.449D-04-0.953D-03-0.422D-02
 Coeff-Com: -0.716D-02-0.246D-01-0.447D-02 0.933D-01 0.256D+00 0.692D+00
 Coeff:     -0.111D-03 0.210D-03 0.198D-03-0.449D-04-0.953D-03-0.422D-02
 Coeff:     -0.716D-02-0.246D-01-0.447D-02 0.933D-01 0.256D+00 0.692D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.58D-07 MaxDP=4.45D-05 DE=-2.47D-09 OVMax= 5.50D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.42D-01  7.80D-01  1.13D+00  9.11D-01  9.78D-01
                    CP:  8.71D-01  8.29D-01
 E= -3470.70123312751     Delta-E=       -0.000000000891 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3470.70123312751     IErMin=13 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-10 BMatP= 1.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-03-0.272D-03-0.649D-05 0.190D-03 0.709D-03 0.112D-02
 Coeff-Com:  0.234D-04-0.110D-01-0.154D-01-0.214D-01 0.401D-01 0.323D+00
 Coeff-Com:  0.683D+00
 Coeff:      0.137D-03-0.272D-03-0.649D-05 0.190D-03 0.709D-03 0.112D-02
 Coeff:      0.234D-04-0.110D-01-0.154D-01-0.214D-01 0.401D-01 0.323D+00
 Coeff:      0.683D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=8.63D-08 MaxDP=1.24D-05 DE=-8.91D-10 OVMax= 3.50D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.82D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.42D-01  7.81D-01  1.13D+00  9.13D-01  9.73D-01
                    CP:  8.85D-01  9.33D-01  1.01D+00
 E= -3470.70123312795     Delta-E=       -0.000000000435 Rises=F Damp=F
 DIIS: error= 8.44D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -3470.70123312795     IErMin=14 ErrMin= 8.44D-08
 ErrMax= 8.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-11 BMatP= 1.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.858D-04-0.168D-03-0.434D-04 0.101D-03 0.540D-03 0.144D-02
 Coeff-Com:  0.156D-02 0.368D-03-0.526D-02-0.279D-01-0.310D-01 0.928D-03
 Coeff-Com:  0.282D+00 0.777D+00
 Coeff:      0.858D-04-0.168D-03-0.434D-04 0.101D-03 0.540D-03 0.144D-02
 Coeff:      0.156D-02 0.368D-03-0.526D-02-0.279D-01-0.310D-01 0.928D-03
 Coeff:      0.282D+00 0.777D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=5.92D-08 MaxDP=1.25D-05 DE=-4.35D-10 OVMax= 2.80D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.54D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.42D-01  7.81D-01  1.13D+00  9.10D-01  9.71D-01
                    CP:  8.96D-01  9.58D-01  1.14D+00  1.27D+00
 E= -3470.70123312829     Delta-E=       -0.000000000338 Rises=F Damp=F
 DIIS: error= 6.18D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -3470.70123312829     IErMin=15 ErrMin= 6.18D-08
 ErrMax= 6.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-11 BMatP= 3.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.224D-04-0.432D-04-0.240D-04 0.212D-04 0.177D-03 0.625D-03
 Coeff-Com:  0.927D-03 0.260D-02 0.283D-03-0.119D-01-0.258D-01-0.689D-01
 Coeff-Com:  0.190D-01 0.449D+00 0.634D+00
 Coeff:      0.224D-04-0.432D-04-0.240D-04 0.212D-04 0.177D-03 0.625D-03
 Coeff:      0.927D-03 0.260D-02 0.283D-03-0.119D-01-0.258D-01-0.689D-01
 Coeff:      0.190D-01 0.449D+00 0.634D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.87D-08 MaxDP=6.52D-06 DE=-3.38D-10 OVMax= 1.78D-06

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  2.37D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.43D-01  7.81D-01  1.13D+00  9.08D-01  9.68D-01
                    CP:  8.89D-01  9.79D-01  1.23D+00  1.57D+00  1.45D+00
 E= -3470.70123312742     Delta-E=        0.000000000864 Rises=F Damp=F
 DIIS: error= 4.44D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3470.70123312829     IErMin=16 ErrMin= 4.44D-08
 ErrMax= 4.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-12 BMatP= 1.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04 0.330D-04-0.202D-05-0.236D-04-0.744D-04-0.740D-04
 Coeff-Com:  0.124D-03 0.200D-02 0.239D-02 0.145D-02-0.848D-02-0.584D-01
 Coeff-Com: -0.993D-01 0.541D-01 0.529D+00 0.578D+00
 Coeff:     -0.165D-04 0.330D-04-0.202D-05-0.236D-04-0.744D-04-0.740D-04
 Coeff:      0.124D-03 0.200D-02 0.239D-02 0.145D-02-0.848D-02-0.584D-01
 Coeff:     -0.993D-01 0.541D-01 0.529D+00 0.578D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=5.43D-08 MaxDP=6.04D-06 DE= 8.64D-10 OVMax= 1.51D-06

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  1.90D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.43D-01  7.81D-01  1.13D+00  9.06D-01  9.65D-01
                    CP:  8.79D-01  1.00D+00  1.32D+00  1.92D+00  2.20D+00
                    CP:  1.51D+00
 E= -3470.70123312789     Delta-E=       -0.000000000467 Rises=F Damp=F
 DIIS: error= 2.98D-08 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=15 EnMin= -3470.70123312829     IErMin=17 ErrMin= 2.98D-08
 ErrMax= 2.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-12 BMatP= 7.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-04 0.409D-04 0.889D-05-0.256D-04-0.127D-03-0.324D-03
 Coeff-Com: -0.318D-03 0.176D-03 0.144D-02 0.579D-02 0.534D-02-0.112D-01
 Coeff-Com: -0.741D-01-0.151D+00 0.963D-01 0.391D+00 0.737D+00
 Coeff:     -0.208D-04 0.409D-04 0.889D-05-0.256D-04-0.127D-03-0.324D-03
 Coeff:     -0.318D-03 0.176D-03 0.144D-02 0.579D-02 0.534D-02-0.112D-01
 Coeff:     -0.741D-01-0.151D+00 0.963D-01 0.391D+00 0.737D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.89D-08 MaxDP=8.43D-06 DE=-4.67D-10 OVMax= 1.28D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.20D-01
                    CP:  7.43D-01  7.81D-01  1.13D+00  9.02D-01  9.62D-01
                    CP:  8.66D-01  1.03D+00  1.41D+00  2.41D+00  3.00D+00
                    CP:  2.81D+00  2.10D+00
 E= -3470.70123312770     Delta-E=        0.000000000189 Rises=F Damp=F
 DIIS: error= 1.77D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=15 EnMin= -3470.70123312829     IErMin=18 ErrMin= 1.77D-08
 ErrMax= 1.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-13 BMatP= 2.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.334D-05 0.632D-05 0.587D-05-0.310D-05-0.350D-04-0.147D-03
 Coeff-Com: -0.237D-03-0.935D-03-0.399D-03 0.225D-02 0.719D-02 0.212D-01
 Coeff-Com:  0.834D-02-0.107D+00-0.199D+00-0.605D-01 0.399D+00 0.930D+00
 Coeff:     -0.334D-05 0.632D-05 0.587D-05-0.310D-05-0.350D-04-0.147D-03
 Coeff:     -0.237D-03-0.935D-03-0.399D-03 0.225D-02 0.719D-02 0.212D-01
 Coeff:      0.834D-02-0.107D+00-0.199D+00-0.605D-01 0.399D+00 0.930D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.35D-07 MaxDP=1.38D-05 DE= 1.89D-10 OVMax= 1.05D-06

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  7.22D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.21D-01
                    CP:  7.44D-01  7.81D-01  1.12D+00  8.96D-01  9.56D-01
                    CP:  8.44D-01  1.07D+00  1.56D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00
 E= -3470.70123312764     Delta-E=        0.000000000064 Rises=F Damp=F
 DIIS: error= 7.15D-09 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=15 EnMin= -3470.70123312829     IErMin=19 ErrMin= 7.15D-09
 ErrMax= 7.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-13 BMatP= 5.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-05-0.633D-05-0.180D-06 0.417D-05 0.155D-04 0.218D-04
 Coeff-Com: -0.805D-06-0.301D-03-0.352D-03-0.463D-03 0.128D-02 0.825D-02
 Coeff-Com:  0.165D-01-0.304D-02-0.777D-01-0.912D-01-0.198D-01 0.266D+00
 Coeff-Com:  0.900D+00
 Coeff:      0.319D-05-0.633D-05-0.180D-06 0.417D-05 0.155D-04 0.218D-04
 Coeff:     -0.805D-06-0.301D-03-0.352D-03-0.463D-03 0.128D-02 0.825D-02
 Coeff:      0.165D-01-0.304D-02-0.777D-01-0.912D-01-0.198D-01 0.266D+00
 Coeff:      0.900D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.25D-07 MaxDP=1.15D-05 DE= 6.37D-11 OVMax= 3.32D-07

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  4.07D-08    CP:  1.23D+00  2.03D+00  3.64D-01  7.73D-01  8.21D-01
                    CP:  7.44D-01  7.80D-01  1.12D+00  8.90D-01  9.49D-01
                    CP:  8.22D-01  1.12D+00  1.70D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  2.19D+00
 E= -3470.70123312667     Delta-E=        0.000000000964 Rises=F Damp=F
 DIIS: error= 3.30D-09 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=15 EnMin= -3470.70123312829     IErMin=20 ErrMin= 3.30D-09
 ErrMax= 3.30D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-14 BMatP= 1.25D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.188D-05-0.365D-05-0.177D-05 0.241D-05 0.159D-04 0.534D-04
 Coeff-Com:  0.762D-04 0.218D-03 0.559D-04-0.859D-03-0.179D-02-0.431D-02
 Coeff-Com:  0.230D-02 0.340D-01 0.412D-01-0.826D-02-0.138D+00-0.232D+00
 Coeff-Com:  0.292D+00 0.101D+01
 Coeff:      0.188D-05-0.365D-05-0.177D-05 0.241D-05 0.159D-04 0.534D-04
 Coeff:      0.762D-04 0.218D-03 0.559D-04-0.859D-03-0.179D-02-0.431D-02
 Coeff:      0.230D-02 0.340D-01 0.412D-01-0.826D-02-0.138D+00-0.232D+00
 Coeff:      0.292D+00 0.101D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.26D-05 DE= 9.64D-10 OVMax= 1.91D-07

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3470.70123315059     Delta-E=       -0.000000023920 Rises=F Damp=F
 DIIS: error= 5.84D-07 at cycle  21 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3470.70123315059     IErMin=19 ErrMin= 3.30D-09
 ErrMax= 5.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-07-0.856D-06 0.341D-06 0.578D-05 0.292D-04 0.550D-04
 Coeff-Com:  0.245D-03 0.164D-03-0.500D-03-0.150D-02-0.473D-02-0.316D-03
 Coeff-Com:  0.295D-01 0.429D-01-0.130D-02-0.127D+00-0.230D+00 0.277D+00
 Coeff-Com:  0.102D+01-0.163D-02
 Coeff:      0.584D-07-0.856D-06 0.341D-06 0.578D-05 0.292D-04 0.550D-04
 Coeff:      0.245D-03 0.164D-03-0.500D-03-0.150D-02-0.473D-02-0.316D-03
 Coeff:      0.295D-01 0.429D-01-0.130D-02-0.127D+00-0.230D+00 0.277D+00
 Coeff:      0.102D+01-0.163D-02
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=1.57D-06 DE=-2.39D-08 OVMax= 5.74D-09

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  1.21D-08    CP:  1.00D+00
 E= -3470.70123315018     Delta-E=        0.000000000407 Rises=F Damp=F
 DIIS: error= 5.85D-07 at cycle  22 NSaved=  20.
 NSaved=20 IEnMin=19 EnMin= -3470.70123315059     IErMin=18 ErrMin= 3.30D-09
 ErrMax= 5.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 20 BigCof=    0.00 CofMax=   10.00 Det=-2.45D-16
 Inversion failed.  Reducing to 19 matrices.
 Large coefficients: NSaved= 19 BigCof=    0.00 CofMax=   10.00 Det=-2.45D-16
 Inversion failed.  Reducing to 18 matrices.
 Large coefficients: NSaved= 18 BigCof=    0.00 CofMax=   10.00 Det=-2.45D-16
 Inversion failed.  Reducing to 17 matrices.
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-2.48D-16
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.51D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.361D-04 0.684D-04 0.555D-04-0.209D-05-0.597D-03 0.940D-03
 Coeff-Com:  0.114D-01 0.163D-01-0.679D-02-0.815D-01-0.150D+00 0.252D+00
 Coeff-Com:  0.970D+00-0.609D+01 0.608D+01
 Coeff:      0.361D-04 0.684D-04 0.555D-04-0.209D-05-0.597D-03 0.940D-03
 Coeff:      0.114D-01 0.163D-01-0.679D-02-0.815D-01-0.150D+00 0.252D+00
 Coeff:      0.970D+00-0.609D+01 0.608D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.33D-07 MaxDP=2.52D-05 DE= 4.07D-10 OVMax= 2.79D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  1.05D-07    CP:  1.00D+00  3.00D+00
 E= -3470.70123315036     Delta-E=       -0.000000000178 Rises=F Damp=F
 DIIS: error= 5.90D-07 at cycle  23 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3470.70123315059     IErMin=13 ErrMin= 3.30D-09
 ErrMax= 5.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.49D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.592D-04 0.116D-03 0.252D-03 0.249D-03 0.182D-02 0.101D-01
 Coeff-Com:  0.107D-01-0.117D-01-0.806D-01-0.137D+00 0.269D+00 0.956D+00
 Coeff-Com: -0.641D+01 0.552D+01 0.873D+00
 Coeff:      0.592D-04 0.116D-03 0.252D-03 0.249D-03 0.182D-02 0.101D-01
 Coeff:      0.107D-01-0.117D-01-0.806D-01-0.137D+00 0.269D+00 0.956D+00
 Coeff:     -0.641D+01 0.552D+01 0.873D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=1.15D-05 DE=-1.78D-10 OVMax= 2.19D-08

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  7.72D-08    CP:  1.00D+00  3.00D+00  1.81D+00
 E= -3470.70123315098     Delta-E=       -0.000000000622 Rises=F Damp=F
 DIIS: error= 5.94D-07 at cycle  24 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3470.70123315098     IErMin=12 ErrMin= 3.30D-09
 ErrMax= 5.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.48D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.344D-04 0.346D-03 0.962D-03 0.224D-02 0.709D-02 0.648D-02
 Coeff-Com: -0.120D-01-0.717D-01-0.124D+00 0.254D+00 0.959D+00-0.623D+01
 Coeff-Com:  0.556D+01-0.130D-01 0.665D+00
 Coeff:      0.344D-04 0.346D-03 0.962D-03 0.224D-02 0.709D-02 0.648D-02
 Coeff:     -0.120D-01-0.717D-01-0.124D+00 0.254D+00 0.959D+00-0.623D+01
 Coeff:      0.556D+01-0.130D-01 0.665D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.50D-08 MaxDP=9.00D-06 DE=-6.22D-10 OVMax= 1.50D-08

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  1.01D-08    CP:  1.00D+00  3.00D+00  2.07D+00  1.81D+00
 E= -3470.70123315054     Delta-E=        0.000000000444 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle  25 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3470.70123315098     IErMin=11 ErrMin= 3.30D-09
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.34D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.336D-03 0.112D-02 0.278D-02 0.729D-02 0.429D-02-0.143D-01
 Coeff-Com: -0.705D-01-0.114D+00 0.262D+00 0.946D+00-0.572D+01 0.517D+01
 Coeff-Com: -0.451D+00 0.572D+00 0.408D+00
 Coeff:      0.336D-03 0.112D-02 0.278D-02 0.729D-02 0.429D-02-0.143D-01
 Coeff:     -0.705D-01-0.114D+00 0.262D+00 0.946D+00-0.572D+01 0.517D+01
 Coeff:     -0.451D+00 0.572D+00 0.408D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.04D-08 MaxDP=9.98D-06 DE= 4.44D-10 OVMax= 1.31D-08

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  2.90D-09    CP:  1.00D+00  3.00D+00  2.22D+00  2.57D+00  2.23D+00
 E= -3470.70123315146     Delta-E=       -0.000000000917 Rises=F Damp=F
 DIIS: error= 5.96D-07 at cycle  26 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3470.70123315146     IErMin=10 ErrMin= 3.30D-09
 ErrMax= 5.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.99D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.693D-03 0.230D-02 0.484D-02 0.232D-02-0.117D-01-0.583D-01
 Coeff-Com: -0.102D+00 0.234D+00 0.953D+00-0.630D+01 0.574D+01-0.523D+00
 Coeff-Com:  0.875D+00 0.537D+00-0.359D+00
 Coeff:      0.693D-03 0.230D-02 0.484D-02 0.232D-02-0.117D-01-0.583D-01
 Coeff:     -0.102D+00 0.234D+00 0.953D+00-0.630D+01 0.574D+01-0.523D+00
 Coeff:      0.875D+00 0.537D+00-0.359D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.71D-08 MaxDP=6.42D-06 DE=-9.17D-10 OVMax= 9.88D-09

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  1.73D-09    CP:  1.00D+00  3.00D+00  2.24D+00  2.21D+00  1.32D+00
                    CP: -4.46D-01
 E= -3470.70123315117     Delta-E=        0.000000000284 Rises=F Damp=F
 DIIS: error= 5.96D-07 at cycle  27 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3470.70123315146     IErMin= 9 ErrMin= 3.30D-09
 ErrMax= 5.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.06D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.967D-03 0.533D-02 0.751D-02-0.650D-02-0.577D-01-0.113D+00
 Coeff-Com:  0.217D+00 0.971D+00-0.608D+01 0.565D+01-0.773D+00 0.813D+00
 Coeff-Com:  0.470D+00-0.627D+00 0.515D+00
 Coeff:      0.967D-03 0.533D-02 0.751D-02-0.650D-02-0.577D-01-0.113D+00
 Coeff:      0.217D+00 0.971D+00-0.608D+01 0.565D+01-0.773D+00 0.813D+00
 Coeff:      0.470D+00-0.627D+00 0.515D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.54D-08 MaxDP=4.33D-06 DE= 2.84D-10 OVMax= 6.30D-09

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  1.95D-09    CP:  1.00D+00  3.00D+00  2.26D+00  2.47D+00  1.74D+00
                    CP: -3.65D-01  2.01D+00
 E= -3470.70123315127     Delta-E=       -0.000000000095 Rises=F Damp=F
 DIIS: error= 5.96D-07 at cycle  28 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3470.70123315146     IErMin= 8 ErrMin= 3.30D-09
 ErrMax= 5.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-10 BMatP= 4.95D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.08D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.348D-02 0.704D-03-0.370D-01-0.542D-01-0.289D-01 0.188D+00
 Coeff-Com:  0.948D+00-0.348D+01 0.326D+01-0.767D+00-0.248D+00 0.645D+00
 Coeff-Com:  0.132D+01-0.510D-01-0.696D+00
 Coeff:      0.348D-02 0.704D-03-0.370D-01-0.542D-01-0.289D-01 0.188D+00
 Coeff:      0.948D+00-0.348D+01 0.326D+01-0.767D+00-0.248D+00 0.645D+00
 Coeff:      0.132D+01-0.510D-01-0.696D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=3.06D-05 DE=-9.46D-11 OVMax= 1.84D-07

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.00D+00  3.00D+00  2.42D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -1.33D+00 -3.00D+00
 E= -3470.70123315153     Delta-E=       -0.000000000266 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle  29 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3470.70123315153     IErMin= 7 ErrMin= 7.15D-09
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-10 BMatP= 1.25D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.10D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.871D-03-0.726D-02-0.128D-01-0.217D-01 0.889D-01 0.975D+00
 Coeff-Com: -0.356D+01 0.326D+01-0.731D+00-0.117D+00 0.540D+00 0.137D+01
 Coeff-Com:  0.488D-01-0.973D+00 0.136D+00
 Coeff:     -0.871D-03-0.726D-02-0.128D-01-0.217D-01 0.889D-01 0.975D+00
 Coeff:     -0.356D+01 0.326D+01-0.731D+00-0.117D+00 0.540D+00 0.137D+01
 Coeff:      0.488D-01-0.973D+00 0.136D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.69D-08 MaxDP=2.45D-06 DE=-2.66D-10 OVMax= 1.13D-07

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  7.74D-09    CP:  1.00D+00  3.00D+00  2.57D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -3.00D+00 -3.00D+00  1.14D+00
 E= -3470.70123315070     Delta-E=        0.000000000839 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle  30 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -3470.70123315153     IErMin= 6 ErrMin= 7.15D-09
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-10 BMatP= 1.25D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.03D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.650D-02-0.153D-01-0.309D-01 0.809D-01 0.993D+00-0.368D+01
 Coeff-Com:  0.342D+01-0.855D+00-0.796D-01 0.582D+00 0.110D+01 0.733D-01
 Coeff-Com: -0.771D+00 0.548D-01 0.123D+00
 Coeff:     -0.650D-02-0.153D-01-0.309D-01 0.809D-01 0.993D+00-0.368D+01
 Coeff:      0.342D+01-0.855D+00-0.796D-01 0.582D+00 0.110D+01 0.733D-01
 Coeff:     -0.771D+00 0.548D-01 0.123D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=1.44D-06 DE= 8.39D-10 OVMax= 3.35D-09

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  4.39D-09    CP:  1.00D+00  3.00D+00  2.65D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -2.41D+00 -3.00D+00  1.23D+00  8.02D-01
 E= -3470.70123315144     Delta-E=       -0.000000000740 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle  31 NSaved=  16.
 NSaved=16 IEnMin=14 EnMin= -3470.70123315153     IErMin= 5 ErrMin= 7.15D-09
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-10 BMatP= 1.25D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.41D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.267D-01-0.190D-01 0.353D+00 0.679D+00 0.105D+00-0.116D+01
 Coeff-Com:  0.364D+01-0.190D+01-0.901D-01 0.587D+01-0.124D+01-0.384D+01
 Coeff-Com:  0.126D+01 0.649D+00-0.328D+01
 Coeff:     -0.267D-01-0.190D-01 0.353D+00 0.679D+00 0.105D+00-0.116D+01
 Coeff:      0.364D+01-0.190D+01-0.901D-01 0.587D+01-0.124D+01-0.384D+01
 Coeff:      0.126D+01 0.649D+00-0.328D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=8.13D-07 MaxDP=7.48D-05 DE=-7.40D-10 OVMax= 4.86D-07

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  4.25D-08    CP:  1.00D+00 -3.00D+00 -9.13D-01 -2.87D+00 -3.00D+00
                    CP: -1.43D+00 -2.43D+00 -3.00D+00 -2.31D-02 -4.58D-01
                    CP: -4.17D-01
 E= -3470.70123315030     Delta-E=        0.000000001131 Rises=F Damp=F
 DIIS: error= 5.77D-07 at cycle  32 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3470.70123315153     IErMin= 4 ErrMin= 1.77D-08
 ErrMax= 5.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-10 BMatP= 5.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.23D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.489D-01 0.211D+00 0.726D+00 0.200D+01-0.386D+01 0.849D+01
 Coeff-Com:  0.283D+01 0.659D+00-0.505D+01 0.212D-01-0.412D+01 0.500D+01
 Coeff-Com:  0.480D+01-0.859D+01-0.217D+01
 Coeff:      0.489D-01 0.211D+00 0.726D+00 0.200D+01-0.386D+01 0.849D+01
 Coeff:      0.283D+01 0.659D+00-0.505D+01 0.212D-01-0.412D+01 0.500D+01
 Coeff:      0.480D+01-0.859D+01-0.217D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.62D-07 MaxDP=1.00D-04 DE= 1.13D-09 OVMax= 5.13D-07

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  1.00D+00 -3.00D+00  1.10D+00 -3.00D+00 -3.00D+00
                    CP: -4.06D-01  3.00D+00 -3.00D+00 -1.41D+00  3.00D+00
                    CP: -3.00D+00  8.13D-01
 E= -3470.70123315019     Delta-E=        0.000000000118 Rises=F Damp=F
 DIIS: error= 5.76D-07 at cycle  33 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3470.70123315153     IErMin= 3 ErrMin= 2.98D-08
 ErrMax= 5.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-10 BMatP= 2.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.19D-16
 Inversion failed.  Reducing to 15 matrices.
 Large coefficients: NSaved= 15 BigCof=   28.12 CofMax=   10.00 Det=-1.26D-16
 Inversion failed.  Reducing to 14 matrices.
 Large coefficients: NSaved= 14 BigCof=   32.99 CofMax=   10.00 Det=-1.26D-16
 Inversion failed.  Reducing to 13 matrices.
 Large coefficients: NSaved= 13 BigCof=  136.84 CofMax=   10.00 Det=-1.38D-16
 Inversion failed.  Reducing to 12 matrices.
 Large coefficients: NSaved= 12 BigCof=  141.37 CofMax=   10.00 Det=-1.47D-16
 Inversion failed.  Reducing to 11 matrices.
 Large coefficients: NSaved= 11 BigCof=  151.87 CofMax=   10.00 Det=-1.50D-16
 Inversion failed.  Reducing to 10 matrices.
 Large coefficients: NSaved= 10 BigCof=  155.39 CofMax=   10.00 Det=-1.50D-16
 Inversion failed.  Reducing to  9 matrices.
 Large coefficients: NSaved=  9 BigCof=  320.46 CofMax=   10.00 Det=-1.81D-16
 Inversion failed.  Reducing to  8 matrices.
 Large coefficients: NSaved=  8 BigCof=   69.70 CofMax=   10.00 Det=-8.44D-16
 Inversion failed.  Reducing to  7 matrices.
 Large coefficients: NSaved=  7 BigCof=   68.49 CofMax=   10.00 Det=-1.30D-15
 Inversion failed.  Reducing to  6 matrices.
 Large coefficients: NSaved=  6 BigCof=   68.31 CofMax=   10.00 Det=-1.87D-15
 Inversion failed.  Reducing to  5 matrices.
 Large coefficients: NSaved=  5 BigCof=   68.11 CofMax=   10.00 Det=-1.65D-14
 Inversion failed.  Reducing to  4 matrices.
 Large coefficients: NSaved=  4 BigCof=   22.67 CofMax=   10.00 Det=-5.44D-14
 Inversion failed.  Reducing to  3 matrices.
 Large coefficients: NSaved=  3 BigCof=   22.97 CofMax=   10.00 Det=-3.13D-13
 Inversion failed.  Reducing to  2 matrices.
 Coeff-Com: -0.422D+00 0.142D+01
 Coeff:     -0.422D+00 0.142D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=6.71D-06 MaxDP=7.30D-04 DE= 1.18D-10 OVMax= 1.74D-06

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  6.10D-06    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00
 E= -3470.70123314851     Delta-E=        0.000000001675 Rises=F Damp=F
 DIIS: error= 4.24D-08 at cycle  34 NSaved=   3.
 NSaved= 3 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 3 ErrMin= 4.24D-08
 ErrMax= 4.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-12 BMatP= 5.00D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.242D+01 0.241D+01 0.101D+01
 Coeff:     -0.242D+01 0.241D+01 0.101D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=9.45D-07 MaxDP=9.07D-05 DE= 1.68D-09 OVMax= 8.76D-07

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  8.54D-07    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.05D+00
 E= -3470.70123314849     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 5.27D-08 at cycle  35 NSaved=   4.
 NSaved= 4 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 3 ErrMin= 4.24D-08
 ErrMax= 5.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-11 BMatP= 8.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.779D+00 0.767D+00 0.611D+00 0.401D+00
 Coeff:     -0.779D+00 0.767D+00 0.611D+00 0.401D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.24D-07 MaxDP=2.13D-05 DE= 2.18D-11 OVMax= 7.12D-07

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  9.97D-08    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.05D+00  1.23D+00
 E= -3470.70123314865     Delta-E=       -0.000000000156 Rises=F Damp=F
 DIIS: error= 1.33D-08 at cycle  36 NSaved=   5.
 NSaved= 5 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 5 ErrMin= 1.33D-08
 ErrMax= 1.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-12 BMatP= 8.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.998D+00-0.100D+01-0.491D-01 0.322D+00 0.731D+00
 Coeff:      0.998D+00-0.100D+01-0.491D-01 0.322D+00 0.731D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.95D-07 MaxDP=2.99D-05 DE=-1.56D-10 OVMax= 5.81D-07

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  3.52D-08    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.06D+00  1.55D+00
                    CP:  1.99D+00
 E= -3470.70123314825     Delta-E=        0.000000000395 Rises=F Damp=F
 DIIS: error= 6.26D-09 at cycle  37 NSaved=   6.
 NSaved= 6 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 6 ErrMin= 6.26D-09
 ErrMax= 6.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-13 BMatP= 2.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.551D+00-0.551D+00-0.860D-01 0.149D+00 0.443D+00 0.495D+00
 Coeff:      0.551D+00-0.551D+00-0.860D-01 0.149D+00 0.443D+00 0.495D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=5.09D-08 MaxDP=1.22D-05 DE= 3.95D-10 OVMax= 1.37D-07

 Cycle  38  Pass 1  IDiag  1:
 RMSU=  1.86D-08    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.07D+00  1.56D+00
                    CP:  1.72D+00  1.47D+00
 E= -3470.70123314823     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 5.00D-09 at cycle  38 NSaved=   7.
 NSaved= 7 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 7 ErrMin= 5.00D-09
 ErrMax= 5.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.77D-14 BMatP= 4.62D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.177D+00-0.177D+00-0.261D-01 0.428D-01 0.139D+00 0.289D+00
 Coeff-Com:  0.555D+00
 Coeff:      0.177D+00-0.177D+00-0.261D-01 0.428D-01 0.139D+00 0.289D+00
 Coeff:      0.555D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.75D-08 MaxDP=8.61D-06 DE= 1.64D-11 OVMax= 9.13D-08

 Cycle  39  Pass 1  IDiag  1:
 RMSU=  5.54D-09    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.07D+00  1.54D+00
                    CP:  1.48D+00  1.68D+00  1.66D+00
 E= -3470.70123314832     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 4.15D-09 at cycle  39 NSaved=   8.
 NSaved= 8 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 8 ErrMin= 4.15D-09
 ErrMax= 4.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-14 BMatP= 8.77D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-01 0.167D-01 0.233D-01-0.590D-02-0.490D-01-0.376D-01
 Coeff-Com:  0.195D+00 0.875D+00
 Coeff:     -0.166D-01 0.167D-01 0.233D-01-0.590D-02-0.490D-01-0.376D-01
 Coeff:      0.195D+00 0.875D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.46D-08 MaxDP=5.08D-06 DE=-8.37D-11 OVMax= 1.15D-07

 Cycle  40  Pass 1  IDiag  1:
 RMSU=  6.34D-09    CP:  1.00D+00 -3.00D+00 -3.00D+00 -3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00 -3.00D+00  3.00D+00
                    CP: -3.00D+00 -3.00D+00  3.00D+00  1.07D+00  1.51D+00
                    CP:  1.34D+00  1.73D+00  2.00D+00  2.62D+00
 E= -3470.70123314834     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 2.81D-09 at cycle  40 NSaved=   9.
 NSaved= 9 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 2.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-14 BMatP= 2.39D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.207D-01 0.206D-01 0.266D-01-0.133D-01-0.785D-01-0.160D+00
 Coeff-Com: -0.173D+00 0.533D+00 0.866D+00
 Coeff:     -0.207D-01 0.206D-01 0.266D-01-0.133D-01-0.785D-01-0.160D+00
 Coeff:     -0.173D+00 0.533D+00 0.866D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.66D-08 MaxDP=3.04D-06 DE=-2.55D-11 OVMax= 1.30D-07

 Cycle  41  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3470.70123315018     Delta-E=       -0.000000001841 Rises=F Damp=F
 DIIS: error= 4.68D-08 at cycle  41 NSaved=  10.
 NSaved=10 IEnMin= 1 EnMin= -3470.70123315030     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-01-0.289D-01-0.148D-01-0.374D-01-0.946D-01-0.120D+00
 Coeff-Com: -0.519D-01 0.616D+00 0.756D+00-0.532D-01
 Coeff:      0.289D-01-0.289D-01-0.148D-01-0.374D-01-0.946D-01-0.120D+00
 Coeff:     -0.519D-01 0.616D+00 0.756D+00-0.532D-01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.03D-07 MaxDP=9.97D-06 DE=-1.84D-09 OVMax= 3.61D-08

 Cycle  42  Pass 1  IDiag  1:
 RMSU=  9.89D-08    CP:  1.00D+00
 E= -3470.70123315059     Delta-E=       -0.000000000407 Rises=F Damp=F
 DIIS: error= 4.67D-08 at cycle  42 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3470.70123315059     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.34D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.229D-01-0.225D-01-0.909D-02-0.436D-01-0.112D+00-0.150D+00
 Coeff-Com: -0.988D-01 0.621D+00 0.835D+00 0.637D+00-0.681D+00
 Coeff:      0.229D-01-0.225D-01-0.909D-02-0.436D-01-0.112D+00-0.150D+00
 Coeff:     -0.988D-01 0.621D+00 0.835D+00 0.637D+00-0.681D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=6.97D-08 MaxDP=6.32D-06 DE=-4.07D-10 OVMax= 1.18D-08

 Cycle  43  Pass 1  IDiag  1:
 RMSU=  1.02D-08    CP:  1.00D+00  3.34D-01
 E= -3470.70123315081     Delta-E=       -0.000000000215 Rises=F Damp=F
 DIIS: error= 4.67D-08 at cycle  43 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3470.70123315081     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.33D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D-01-0.222D-01-0.105D-01-0.451D-01-0.116D+00-0.157D+00
 Coeff-Com: -0.110D+00 0.617D+00 0.867D+00 0.640D+00 0.328D+00-0.101D+01
 Coeff:      0.227D-01-0.222D-01-0.105D-01-0.451D-01-0.116D+00-0.157D+00
 Coeff:     -0.110D+00 0.617D+00 0.867D+00 0.640D+00 0.328D+00-0.101D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.22D-08 MaxDP=6.64D-06 DE=-2.15D-10 OVMax= 1.25D-08

 Cycle  44  Pass 1  IDiag  1:
 RMSU=  7.29D-09    CP:  1.00D+00  1.02D+00 -3.08D-01
 E= -3470.70123315121     Delta-E=       -0.000000000404 Rises=F Damp=F
 DIIS: error= 4.64D-08 at cycle  44 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3470.70123315121     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-01-0.201D-01-0.858D-02-0.467D-01-0.121D+00-0.164D+00
 Coeff-Com: -0.118D+00 0.625D+00 0.873D+00 0.882D+00-0.216D+00-0.183D+01
 Coeff-Com:  0.113D+01
 Coeff:      0.206D-01-0.201D-01-0.858D-02-0.467D-01-0.121D+00-0.164D+00
 Coeff:     -0.118D+00 0.625D+00 0.873D+00 0.882D+00-0.216D+00-0.183D+01
 Coeff:      0.113D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.00D-08 MaxDP=2.35D-06 DE=-4.04D-10 OVMax= 6.47D-09

 Cycle  45  Pass 1  IDiag  1:
 RMSU=  8.67D-09    CP:  1.00D+00  1.25D+00 -1.78D+00  2.32D+00
 E= -3470.70123315053     Delta-E=        0.000000000680 Rises=F Damp=F
 DIIS: error= 4.59D-08 at cycle  45 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -3470.70123315121     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-02 0.257D-02-0.464D-02-0.477D-01-0.125D+00-0.158D+00
 Coeff-Com: -0.847D-01 0.658D+00 0.775D+00 0.519D+00-0.138D+01 0.269D+00
 Coeff-Com: -0.166D+01 0.224D+01
 Coeff:     -0.223D-02 0.257D-02-0.464D-02-0.477D-01-0.125D+00-0.158D+00
 Coeff:     -0.847D-01 0.658D+00 0.775D+00 0.519D+00-0.138D+01 0.269D+00
 Coeff:     -0.166D+01 0.224D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=6.82D-08 MaxDP=5.48D-06 DE= 6.80D-10 OVMax= 9.53D-09

 Cycle  46  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.00D+00  7.11D-01 -3.00D+00  3.00D+00  2.92D+00
 E= -3470.70123315008     Delta-E=        0.000000000447 Rises=F Damp=F
 DIIS: error= 4.49D-08 at cycle  46 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -3470.70123315121     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.909D-02 0.942D-02-0.402D-02-0.485D-01-0.125D+00-0.147D+00
 Coeff-Com: -0.519D-01 0.676D+00 0.686D+00 0.405D+00-0.179D+01 0.333D+00
 Coeff-Com: -0.193D+01 0.226D+01 0.728D+00
 Coeff:     -0.909D-02 0.942D-02-0.402D-02-0.485D-01-0.125D+00-0.147D+00
 Coeff:     -0.519D-01 0.676D+00 0.686D+00 0.405D+00-0.179D+01 0.333D+00
 Coeff:     -0.193D+01 0.226D+01 0.728D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.31D-08 MaxDP=3.67D-06 DE= 4.47D-10 OVMax= 6.98D-09

 Cycle  47  Pass 1  IDiag  1:
 RMSU=  2.50D-08    CP:  1.00D+00  6.56D-01 -3.00D+00  3.00D+00  3.00D+00
                    CP:  2.41D+00
 E= -3470.70123315088     Delta-E=       -0.000000000797 Rises=F Damp=F
 DIIS: error= 4.49D-08 at cycle  47 NSaved=  16.
 NSaved=16 IEnMin=13 EnMin= -3470.70123315121     IErMin= 9 ErrMin= 2.81D-09
 ErrMax= 4.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.67D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.120D-01 0.124D-01-0.722D-02-0.501D-01-0.124D+00-0.130D+00
 Coeff-Com:  0.682D+00 0.600D+00 0.324D+00-0.164D+01-0.371D+00-0.187D+01
 Coeff-Com:  0.255D+01 0.764D+00 0.270D+00
 Coeff:     -0.120D-01 0.124D-01-0.722D-02-0.501D-01-0.124D+00-0.130D+00
 Coeff:      0.682D+00 0.600D+00 0.324D+00-0.164D+01-0.371D+00-0.187D+01
 Coeff:      0.255D+01 0.764D+00 0.270D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.53D-08 MaxDP=7.23D-06 DE=-7.97D-10 OVMax= 1.46D-08

 Cycle  48  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.00D+00  1.29D+00 -3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.23D+00
 E= -3470.70123315075     Delta-E=        0.000000000133 Rises=F Damp=F
 DIIS: error= 4.50D-08 at cycle  48 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -3470.70123315121     IErMin= 8 ErrMin= 2.81D-09
 ErrMax= 4.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.05D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.723D-01-0.722D-01-0.271D-01-0.250D-01-0.352D-01 0.533D+00
 Coeff-Com:  0.542D+00-0.217D+00-0.352D+01 0.248D+01 0.237D-01-0.648D+00
 Coeff-Com:  0.114D+01 0.319D+01-0.243D+01
 Coeff:      0.723D-01-0.722D-01-0.271D-01-0.250D-01-0.352D-01 0.533D+00
 Coeff:      0.542D+00-0.217D+00-0.352D+01 0.248D+01 0.237D-01-0.648D+00
 Coeff:      0.114D+01 0.319D+01-0.243D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.18D-07 MaxDP=3.76D-05 DE= 1.33D-10 OVMax= 7.68D-08

 Cycle  49  Pass 1  IDiag  1:
 RMSU=  1.92D-08    CP:  1.00D+00 -2.64D+00  2.19D+00  3.00D+00  2.90D+00
                    CP:  1.36D+00 -2.46D-01 -1.73D-01
 E= -3470.70123315044     Delta-E=        0.000000000307 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle  49 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3470.70123315121     IErMin= 7 ErrMin= 2.81D-09
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.05D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.763D-01-0.760D-01-0.141D-01-0.116D-01-0.172D-01 0.102D+01
 Coeff-Com:  0.198D+00-0.126D+01 0.277D+00-0.810D+00 0.460D+00 0.579D+00
 Coeff-Com:  0.156D+01-0.125D+01 0.275D+00
 Coeff:      0.763D-01-0.760D-01-0.141D-01-0.116D-01-0.172D-01 0.102D+01
 Coeff:      0.198D+00-0.126D+01 0.277D+00-0.810D+00 0.460D+00 0.579D+00
 Coeff:      0.156D+01-0.125D+01 0.275D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=9.73D-08 MaxDP=8.63D-06 DE= 3.07D-10 OVMax= 2.65D-08

 Cycle  50  Pass 1  IDiag  1:
 RMSU=  4.54D-09    CP:  1.00D+00 -1.71D+00  2.44D-01  3.00D+00  2.99D+00
                    CP:  1.11D+00 -1.74D-01 -1.09D-01  6.04D-01
 E= -3470.70123315076     Delta-E=       -0.000000000317 Rises=F Damp=F
 DIIS: error= 4.50D-08 at cycle  50 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3470.70123315121     IErMin= 6 ErrMin= 2.81D-09
 ErrMax= 4.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-12 BMatP= 1.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.96D-17
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.144D+00 0.143D+00 0.152D+00 0.111D+00 0.132D+00-0.138D+01
 Coeff-Com: -0.791D+01 0.205D-01-0.397D+01 0.544D+01 0.429D+01 0.713D+01
 Coeff-Com: -0.352D+01 0.824D-01 0.418D+00
 Coeff:     -0.144D+00 0.143D+00 0.152D+00 0.111D+00 0.132D+00-0.138D+01
 Coeff:     -0.791D+01 0.205D-01-0.397D+01 0.544D+01 0.429D+01 0.713D+01
 Coeff:     -0.352D+01 0.824D-01 0.418D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=7.63D-07 MaxDP=5.14D-05 DE=-3.17D-10 OVMax= 1.44D-07

 Cycle  51  Pass 1  IDiag  1:
 RMSU=  5.27D-07    CP:  1.00D+00 -3.00D+00 -3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
 E= -3470.70123315072     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 4.34D-08 at cycle  51 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3470.70123315121     IErMin= 5 ErrMin= 1.33D-08
 ErrMax= 4.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-12 BMatP= 2.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.98D-17
 Inversion failed.  Reducing to 15 matrices.
 Large coefficients: NSaved= 15 BigCof=   30.14 CofMax=   10.00 Det=-2.22D-17
 Inversion failed.  Reducing to 14 matrices.
 Large coefficients: NSaved= 14 BigCof=   34.81 CofMax=   10.00 Det=-2.84D-17
 Inversion failed.  Reducing to 13 matrices.
 Large coefficients: NSaved= 13 BigCof=   37.15 CofMax=   10.00 Det=-3.03D-17
 Inversion failed.  Reducing to 12 matrices.
 Large coefficients: NSaved= 12 BigCof=   49.01 CofMax=   10.00 Det=-3.45D-17
 Inversion failed.  Reducing to 11 matrices.
 Large coefficients: NSaved= 11 BigCof=   52.53 CofMax=   10.00 Det=-3.61D-17
 Inversion failed.  Reducing to 10 matrices.
 Large coefficients: NSaved= 10 BigCof=   52.81 CofMax=   10.00 Det=-3.62D-17
 Inversion failed.  Reducing to  9 matrices.
 Large coefficients: NSaved=  9 BigCof=   53.27 CofMax=   10.00 Det=-3.63D-17
 Inversion failed.  Reducing to  8 matrices.
 Large coefficients: NSaved=  8 BigCof=   54.45 CofMax=   10.00 Det=-3.80D-17
 Inversion failed.  Reducing to  7 matrices.
 Large coefficients: NSaved=  7 BigCof=   61.65 CofMax=   10.00 Det=-3.87D-17
 Inversion failed.  Reducing to  6 matrices.
 Large coefficients: NSaved=  6 BigCof=   55.66 CofMax=   10.00 Det=-1.19D-16
 Inversion failed.  Reducing to  5 matrices.
 Large coefficients: NSaved=  5 BigCof=   43.33 CofMax=   10.00 Det=-1.29D-16
 Inversion failed.  Reducing to  4 matrices.
 Large coefficients: NSaved=  4 BigCof=   20.17 CofMax=   10.00 Det=-5.81D-15
 Inversion failed.  Reducing to  3 matrices.
 Coeff-Com: -0.474D+01 0.518D+01 0.561D+00
 Coeff:     -0.474D+01 0.518D+01 0.561D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=1.76D-04 DE= 4.00D-11 OVMax= 3.59D-07

 Cycle  52  Pass 1  IDiag  1:
 RMSU=  1.75D-06    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -2.27D+00  3.00D+00  1.82D+00  3.00D+00
                    CP:  2.17D+00
 E= -3470.70123315123     Delta-E=       -0.000000000517 Rises=F Damp=F
 DIIS: error= 2.31D-08 at cycle  52 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 4 ErrMin= 2.31D-08
 ErrMax= 2.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-12 BMatP= 3.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D+01 0.646D+01-0.416D+00 0.570D+00
 Coeff:     -0.561D+01 0.646D+01-0.416D+00 0.570D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.81D-07 MaxDP=4.56D-05 DE=-5.17D-10 OVMax= 3.47D-07

 Cycle  53  Pass 1  IDiag  1:
 RMSU=  7.69D-08    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00 -3.00D+00 -6.64D-01  3.00D+00  3.00D+00
                    CP:  2.54D+00  1.23D+00
 E= -3470.70123315049     Delta-E=        0.000000000739 Rises=F Damp=F
 DIIS: error= 3.55D-08 at cycle  53 NSaved=   5.
 NSaved= 5 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 4 ErrMin= 2.31D-08
 ErrMax= 3.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-12 BMatP= 3.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.295D+01 0.361D+01-0.256D+00 0.333D+00 0.269D+00
 Coeff:     -0.295D+01 0.361D+01-0.256D+00 0.333D+00 0.269D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.97D-07 MaxDP=4.67D-05 DE= 7.39D-10 OVMax= 8.34D-08

 Cycle  54  Pass 1  IDiag  1:
 RMSU=  5.19D-08    CP:  1.00D+00 -3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.82D+00 -3.00D+00 -2.73D+00  2.63D+00  3.00D+00
                    CP:  2.08D+00  1.00D+00  4.57D-01
 E= -3470.70123315123     Delta-E=       -0.000000000735 Rises=F Damp=F
 DIIS: error= 1.73D-08 at cycle  54 NSaved=   6.
 NSaved= 6 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 6 ErrMin= 1.73D-08
 ErrMax= 1.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-13 BMatP= 2.01D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D+01 0.149D+01-0.107D+00 0.112D+00 0.977D-03 0.613D+00
 Coeff:     -0.111D+01 0.149D+01-0.107D+00 0.112D+00 0.977D-03 0.613D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=3.30D-07 MaxDP=3.10D-05 DE=-7.35D-10 OVMax= 5.52D-08

 Cycle  55  Pass 1  IDiag  1:
 RMSU=  1.45D-08    CP:  1.00D+00 -3.00D+00  3.00D+00  2.05D+00  3.00D+00
                    CP:  1.18D+00 -3.00D+00 -1.81D+00  2.12D+00  2.83D+00
                    CP:  1.77D+00  8.47D-01  1.91D-01  1.44D+00
 E= -3470.70123315072     Delta-E=        0.000000000509 Rises=F Damp=F
 DIIS: error= 6.22D-09 at cycle  55 NSaved=   7.
 NSaved= 7 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 7 ErrMin= 6.22D-09
 ErrMax= 6.22D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.76D-14 BMatP= 4.48D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D+00 0.210D+00-0.374D-01-0.369D-01-0.274D+00 0.479D+00
 Coeff-Com:  0.782D+00
 Coeff:     -0.123D+00 0.210D+00-0.374D-01-0.369D-01-0.274D+00 0.479D+00
 Coeff:      0.782D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=1.42D-05 DE= 5.09D-10 OVMax= 5.68D-08

 Cycle  56  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  1.00D+00 -3.00D+00  3.00D+00 -5.43D-01  2.51D+00
                    CP:  4.08D-01 -2.72D+00 -1.51D+00  1.81D+00  2.76D+00
                    CP:  1.63D+00  7.79D-01  1.53D-01  1.65D+00  2.25D+00
 E= -3470.70123315093     Delta-E=       -0.000000000211 Rises=F Damp=F
 DIIS: error= 2.35D-09 at cycle  56 NSaved=   8.
 NSaved= 8 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 8 ErrMin= 2.35D-09
 ErrMax= 2.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-14 BMatP= 8.76D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.458D+00 0.517D+00-0.576D-01 0.168D-01-0.147D+00 0.458D-01
 Coeff-Com:  0.522D+00 0.560D+00
 Coeff:     -0.458D+00 0.517D+00-0.576D-01 0.168D-01-0.147D+00 0.458D-01
 Coeff:      0.522D+00 0.560D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=6.28D-08 MaxDP=5.80D-06 DE=-2.11D-10 OVMax= 1.50D-08

 Cycle  57  Pass 1  IDiag  1:
 RMSU=  5.77D-09    CP:  1.00D+00 -3.00D+00  3.00D+00 -7.78D-01  1.53D+00
                    CP:  4.52D-01 -3.00D+00 -1.72D+00  1.89D+00  1.63D+00
                    CP:  1.70D+00  8.08D-01  1.88D-01  1.61D+00  2.44D+00
                    CP:  1.42D+00
 E= -3470.70123315101     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 4.36D-09 at cycle  57 NSaved=   9.
 NSaved= 9 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 8 ErrMin= 2.35D-09
 ErrMax= 4.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-14 BMatP= 1.40D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.577D+00 0.641D+00-0.663D-01 0.405D-01-0.768D-01-0.131D+00
 Coeff-Com:  0.321D+00 0.479D+00 0.369D+00
 Coeff:     -0.577D+00 0.641D+00-0.663D-01 0.405D-01-0.768D-01-0.131D+00
 Coeff:      0.321D+00 0.479D+00 0.369D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.97D-08 MaxDP=2.67D-06 DE=-7.64D-11 OVMax= 8.84D-09

 Cycle  58  Pass 1  IDiag  1:
 RMSU=  3.23D-09    CP:  1.00D+00 -3.00D+00  3.00D+00 -1.32D+00  1.07D+00
                    CP:  2.95D-01 -3.00D+00 -1.83D+00  1.86D+00  1.00D+00
                    CP:  1.72D+00  8.21D-01  2.18D-01  1.60D+00  2.71D+00
                    CP:  1.85D+00  1.56D+00
 E= -3470.70123315068     Delta-E=        0.000000000331 Rises=F Damp=F
 DIIS: error= 5.10D-09 at cycle  58 NSaved=  10.
 NSaved=10 IEnMin= 4 EnMin= -3470.70123315123     IErMin= 8 ErrMin= 2.35D-09
 ErrMax= 5.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-14 BMatP= 1.40D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.516D+00 0.577D+00-0.641D-01 0.334D-01-0.861D-01-0.758D-01
 Coeff-Com:  0.354D+00 0.500D+00 0.771D+00-0.494D+00
 Coeff:     -0.516D+00 0.577D+00-0.641D-01 0.334D-01-0.861D-01-0.758D-01
 Coeff:      0.354D+00 0.500D+00 0.771D+00-0.494D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.23D-08 MaxDP=2.13D-06 DE= 3.31D-10 OVMax= 5.11D-09

 Cycle  59  Pass 1  IDiag  1:
 RMSU=  2.21D-09    CP:  1.00D+00 -3.00D+00  3.00D+00 -8.61D-01  1.37D+00
                    CP:  4.32D-01 -3.00D+00 -1.77D+00  1.87D+00  2.01D+00
                    CP:  1.70D+00  8.12D-01  2.18D-01  1.58D+00  2.43D+00
                    CP:  1.50D+00  9.17D-01  2.37D-01
 E= -3470.70123315151     Delta-E=       -0.000000000833 Rises=F Damp=F
 DIIS: error= 3.29D-09 at cycle  59 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3470.70123315151     IErMin= 8 ErrMin= 2.35D-09
 ErrMax= 3.29D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 1.40D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.256D+00 0.287D+00-0.493D-01 0.216D-01-0.247D-01-0.164D+00
 Coeff-Com:  0.116D+00 0.279D+00 0.118D+01-0.144D+01 0.105D+01
 Coeff:     -0.256D+00 0.287D+00-0.493D-01 0.216D-01-0.247D-01-0.164D+00
 Coeff:      0.116D+00 0.279D+00 0.118D+01-0.144D+01 0.105D+01
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=4.82D-08 MaxDP=4.55D-06 DE=-8.33D-10 OVMax= 1.31D-08

 Cycle  60  Pass 1  IDiag  1:
 RMSU=  3.99D-09    CP:  1.00D+00 -3.00D+00  3.00D+00 -1.42D+00  6.58D-01
                    CP:  2.21D-01 -3.00D+00 -1.72D+00  1.67D+00  2.76D+00
                    CP:  1.66D+00  7.90D-01  2.19D-01  1.57D+00  2.48D+00
                    CP:  1.43D+00  7.18D-01  1.42D-01  3.00D+00
 E= -3470.70123315112     Delta-E=        0.000000000386 Rises=F Damp=F
 DIIS: error= 1.87D-09 at cycle  60 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -3470.70123315151     IErMin=12 ErrMin= 1.87D-09
 ErrMax= 1.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-15 BMatP= 1.40D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D+00 0.163D+00-0.407D-01 0.127D-01-0.173D-01-0.144D+00
 Coeff-Com:  0.699D-01 0.191D+00 0.955D+00-0.130D+01 0.899D+00 0.353D+00
 Coeff:     -0.146D+00 0.163D+00-0.407D-01 0.127D-01-0.173D-01-0.144D+00
 Coeff:      0.699D-01 0.191D+00 0.955D+00-0.130D+01 0.899D+00 0.353D+00
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=1.34D-06 DE= 3.86D-10 OVMax= 7.73D-09

 Cycle  61  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3470.70123315115     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 1.88D-08 at cycle  61 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -3470.70123315151     IErMin=12 ErrMin= 1.87D-09
 ErrMax= 1.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 3.87D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D+00 0.167D+00-0.402D-01 0.132D-01-0.169D-01-0.146D+00
 Coeff-Com:  0.690D-01 0.192D+00 0.961D+00-0.130D+01 0.900D+00 0.347D+00
 Coeff-Com:  0.395D-02
 Coeff:     -0.149D+00 0.167D+00-0.402D-01 0.132D-01-0.169D-01-0.146D+00
 Coeff:      0.690D-01 0.192D+00 0.961D+00-0.130D+01 0.900D+00 0.347D+00
 Coeff:      0.395D-02
 Gap=     0.164 Goal=   None    Shift=    0.000
 Gap=     0.111 Goal=   None    Shift=    0.000
 RMSDP=2.38D-09 MaxDP=2.94D-07 DE=-2.91D-11 OVMax= 3.80D-10

 SCF Done:  E(UB3LYP) =  -3470.70123315     A.U. after   61 cycles
            NFock= 61  Conv=0.24D-08     -V/T= 2.0062
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7525 S= 0.5012
 <L.S>= 0.000000000000E+00
 KE= 3.449254123884D+03 PE=-1.805970539548D+04 EE= 6.212424489285D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7525,   after     0.7500
 Leave Link  502 at Thu Jul 22 20:44:43 2021, MaxMem= 16106127360 cpu:          133400.0 elap:           11155.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   968
 NBasis=   968 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=    968 NOA=   144 NOB=   143 NVA=   824 NVB=   825

 **** Warning!!: The largest alpha MO coefficient is  0.94620547D+02


 **** Warning!!: The largest beta MO coefficient is  0.94309491D+02

 Leave Link  801 at Thu Jul 22 20:44:45 2021, MaxMem= 16106127360 cpu:               4.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19454 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-12 8.33D-09 XBig12= 1.00D+00 6.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-12 8.33D-09 XBig12= 7.49D-01 3.16D-01.
     11 vectors produced by pass  2 Test12= 3.94D-12 8.33D-09 XBig12= 4.67D-01 3.55D-01.
     11 vectors produced by pass  3 Test12= 3.94D-12 8.33D-09 XBig12= 4.13D-01 2.13D-01.
     11 vectors produced by pass  4 Test12= 3.94D-12 8.33D-09 XBig12= 3.53D-01 2.27D-01.
     11 vectors produced by pass  5 Test12= 3.94D-12 8.33D-09 XBig12= 8.40D-02 4.83D-02.
     11 vectors produced by pass  6 Test12= 3.94D-12 8.33D-09 XBig12= 1.19D-02 2.27D-02.
     11 vectors produced by pass  7 Test12= 3.94D-12 8.33D-09 XBig12= 2.52D-03 1.89D-02.
     11 vectors produced by pass  8 Test12= 3.94D-12 8.33D-09 XBig12= 6.59D-04 6.09D-03.
     11 vectors produced by pass  9 Test12= 3.94D-12 8.33D-09 XBig12= 9.70D-05 1.51D-03.
     11 vectors produced by pass 10 Test12= 3.94D-12 8.33D-09 XBig12= 1.21D-05 5.93D-04.
     11 vectors produced by pass 11 Test12= 3.94D-12 8.33D-09 XBig12= 1.74D-06 1.68D-04.
     11 vectors produced by pass 12 Test12= 3.94D-12 8.33D-09 XBig12= 3.07D-07 6.28D-05.
     11 vectors produced by pass 13 Test12= 3.94D-12 8.33D-09 XBig12= 3.35D-08 2.18D-05.
     11 vectors produced by pass 14 Test12= 3.94D-12 8.33D-09 XBig12= 2.56D-09 4.03D-06.
      8 vectors produced by pass 15 Test12= 3.94D-12 8.33D-09 XBig12= 3.03D-10 2.84D-06.
      6 vectors produced by pass 16 Test12= 3.94D-12 8.33D-09 XBig12= 2.35D-11 6.42D-07.
      6 vectors produced by pass 17 Test12= 3.94D-12 8.33D-09 XBig12= 1.50D-11 1.38D-07.
      5 vectors produced by pass 18 Test12= 3.94D-12 8.33D-09 XBig12= 7.17D-12 6.91D-08.
      5 vectors produced by pass 19 Test12= 3.94D-12 8.33D-09 XBig12= 3.58D-12 7.44D-08.
      4 vectors produced by pass 20 Test12= 3.94D-12 8.33D-09 XBig12= 1.79D-12 3.10D-08.
      3 vectors produced by pass 21 Test12= 3.94D-12 8.33D-09 XBig12= 1.13D-12 2.51D-08.
      3 vectors produced by pass 22 Test12= 3.94D-12 8.33D-09 XBig12= 9.57D-13 2.35D-08.
      3 vectors produced by pass 23 Test12= 3.94D-12 8.33D-09 XBig12= 7.03D-13 2.05D-08.
      3 vectors produced by pass 24 Test12= 3.94D-12 8.33D-09 XBig12= 4.89D-13 1.96D-08.
      3 vectors produced by pass 25 Test12= 3.94D-12 8.33D-09 XBig12= 6.21D-13 1.63D-08.
      3 vectors produced by pass 26 Test12= 3.94D-12 8.33D-09 XBig12= 7.79D-13 1.75D-08.
      3 vectors produced by pass 27 Test12= 3.94D-12 8.33D-09 XBig12= 5.23D-13 1.35D-08.
      3 vectors produced by pass 28 Test12= 3.94D-12 8.33D-09 XBig12= 8.94D-13 1.84D-08.
      3 vectors produced by pass 29 Test12= 3.94D-12 8.33D-09 XBig12= 1.14D-12 2.48D-08.
      3 vectors produced by pass 30 Test12= 3.94D-12 8.33D-09 XBig12= 6.87D-13 1.38D-08.
      3 vectors produced by pass 31 Test12= 3.94D-12 8.33D-09 XBig12= 1.21D-12 2.26D-08.
      3 vectors produced by pass 32 Test12= 3.94D-12 8.33D-09 XBig12= 4.16D-13 1.35D-08.
      3 vectors produced by pass 33 Test12= 3.94D-12 8.33D-09 XBig12= 8.39D-13 1.85D-08.
      2 vectors produced by pass 34 Test12= 3.94D-12 8.33D-09 XBig12= 7.80D-13 1.65D-08.
      2 vectors produced by pass 35 Test12= 3.94D-12 8.33D-09 XBig12= 7.01D-13 1.55D-08.
      2 vectors produced by pass 36 Test12= 3.94D-12 8.33D-09 XBig12= 6.36D-13 1.51D-08.
      2 vectors produced by pass 37 Test12= 3.94D-12 8.33D-09 XBig12= 5.25D-13 1.54D-08.
      2 vectors produced by pass 38 Test12= 3.94D-12 8.33D-09 XBig12= 5.97D-13 1.59D-08.
      2 vectors produced by pass 39 Test12= 3.94D-12 8.33D-09 XBig12= 5.07D-13 1.18D-08.
      2 vectors produced by pass 40 Test12= 3.94D-12 8.33D-09 XBig12= 5.83D-13 1.81D-08.
      2 vectors produced by pass 41 Test12= 3.94D-12 8.33D-09 XBig12= 5.37D-13 1.57D-08.
      2 vectors produced by pass 42 Test12= 3.94D-12 8.33D-09 XBig12= 6.18D-13 1.80D-08.
      2 vectors produced by pass 43 Test12= 3.94D-12 8.33D-09 XBig12= 5.74D-13 1.49D-08.
      2 vectors produced by pass 44 Test12= 3.94D-12 8.33D-09 XBig12= 4.52D-13 1.07D-08.
      2 vectors produced by pass 45 Test12= 3.94D-12 8.33D-09 XBig12= 4.67D-13 1.46D-08.
      2 vectors produced by pass 46 Test12= 3.94D-12 8.33D-09 XBig12= 5.37D-13 1.37D-08.
      2 vectors produced by pass 47 Test12= 3.94D-12 8.33D-09 XBig12= 4.57D-13 1.34D-08.
      2 vectors produced by pass 48 Test12= 3.94D-12 8.33D-09 XBig12= 4.67D-13 1.70D-08.
      2 vectors produced by pass 49 Test12= 3.94D-12 8.33D-09 XBig12= 3.69D-13 1.21D-08.
      2 vectors produced by pass 50 Test12= 3.94D-12 8.33D-09 XBig12= 4.35D-13 1.47D-08.
      1 vectors produced by pass 51 Test12= 3.94D-12 8.33D-09 XBig12= 4.95D-13 1.23D-08.
      1 vectors produced by pass 52 Test12= 3.94D-12 8.33D-09 XBig12= 4.61D-13 1.24D-08.
      1 vectors produced by pass 53 Test12= 3.94D-12 8.33D-09 XBig12= 4.24D-13 1.25D-08.
      1 vectors produced by pass 54 Test12= 3.94D-12 8.33D-09 XBig12= 4.73D-13 1.25D-08.
      1 vectors produced by pass 55 Test12= 3.94D-12 8.33D-09 XBig12= 4.11D-13 1.53D-08.
      1 vectors produced by pass 56 Test12= 3.94D-12 8.33D-09 XBig12= 4.57D-13 1.57D-08.
      1 vectors produced by pass 57 Test12= 3.94D-12 8.33D-09 XBig12= 4.21D-13 1.05D-08.
      1 vectors produced by pass 58 Test12= 3.94D-12 8.33D-09 XBig12= 4.99D-13 1.32D-08.
      1 vectors produced by pass 59 Test12= 3.94D-12 8.33D-09 XBig12= 4.64D-13 1.08D-08.
      1 vectors produced by pass 60 Test12= 3.94D-12 8.33D-09 XBig12= 4.60D-13 1.37D-08.
      1 vectors produced by pass 61 Test12= 3.94D-12 8.33D-09 XBig12= 3.96D-13 1.33D-08.
      1 vectors produced by pass 62 Test12= 3.94D-12 8.33D-09 XBig12= 4.24D-13 1.09D-08.
      1 vectors produced by pass 63 Test12= 3.94D-12 8.33D-09 XBig12= 4.27D-13 1.12D-08.
      1 vectors produced by pass 64 Test12= 3.94D-12 8.33D-09 XBig12= 4.06D-13 1.28D-08.
      1 vectors produced by pass 65 Test12= 3.94D-12 8.33D-09 XBig12= 3.77D-13 1.25D-08.
      1 vectors produced by pass 66 Test12= 3.94D-12 8.33D-09 XBig12= 3.78D-13 1.25D-08.
      1 vectors produced by pass 67 Test12= 3.94D-12 8.33D-09 XBig12= 4.03D-13 1.34D-08.
      1 vectors produced by pass 68 Test12= 3.94D-12 8.33D-09 XBig12= 3.77D-13 1.26D-08.
      1 vectors produced by pass 69 Test12= 3.94D-12 8.33D-09 XBig12= 3.54D-13 1.06D-08.
      1 vectors produced by pass 70 Test12= 3.94D-12 8.33D-09 XBig12= 3.85D-13 1.06D-08.
      1 vectors produced by pass 71 Test12= 3.94D-12 8.33D-09 XBig12= 4.16D-13 1.24D-08.
      1 vectors produced by pass 72 Test12= 3.94D-12 8.33D-09 XBig12= 3.78D-13 1.05D-08.
      1 vectors produced by pass 73 Test12= 3.94D-12 8.33D-09 XBig12= 3.75D-13 1.13D-08.
      1 vectors produced by pass 74 Test12= 3.94D-12 8.33D-09 XBig12= 3.82D-13 1.35D-08.
      1 vectors produced by pass 75 Test12= 3.94D-12 8.33D-09 XBig12= 3.12D-13 9.97D-09.
      1 vectors produced by pass 76 Test12= 3.94D-12 8.33D-09 XBig12= 3.46D-13 1.26D-08.
      1 vectors produced by pass 77 Test12= 3.94D-12 8.33D-09 XBig12= 3.84D-13 1.18D-08.
      1 vectors produced by pass 78 Test12= 3.94D-12 8.33D-09 XBig12= 3.67D-13 1.20D-08.
      1 vectors produced by pass 79 Test12= 3.94D-12 8.33D-09 XBig12= 3.42D-13 1.15D-08.
      1 vectors produced by pass 80 Test12= 3.94D-12 8.33D-09 XBig12= 3.52D-13 1.18D-08.
      1 vectors produced by pass 81 Test12= 3.94D-12 8.33D-09 XBig12= 3.77D-13 1.30D-08.
      1 vectors produced by pass 82 Test12= 3.94D-12 8.33D-09 XBig12= 4.16D-13 1.19D-08.
      1 vectors produced by pass 83 Test12= 3.94D-12 8.33D-09 XBig12= 3.64D-13 9.22D-09.
      1 vectors produced by pass 84 Test12= 3.94D-12 8.33D-09 XBig12= 3.79D-13 1.08D-08.
      1 vectors produced by pass 85 Test12= 3.94D-12 8.33D-09 XBig12= 3.78D-13 1.15D-08.
      1 vectors produced by pass 86 Test12= 3.94D-12 8.33D-09 XBig12= 3.64D-13 1.22D-08.
      1 vectors produced by pass 87 Test12= 3.94D-12 8.33D-09 XBig12= 3.51D-13 1.22D-08.
      1 vectors produced by pass 88 Test12= 3.94D-12 8.33D-09 XBig12= 3.53D-13 1.34D-08.
      1 vectors produced by pass 89 Test12= 3.94D-12 8.33D-09 XBig12= 3.25D-13 9.42D-09.
      1 vectors produced by pass 90 Test12= 3.94D-12 8.33D-09 XBig12= 3.53D-13 1.08D-08.
      1 vectors produced by pass 91 Test12= 3.94D-12 8.33D-09 XBig12= 3.02D-13 1.08D-08.
      1 vectors produced by pass 92 Test12= 3.94D-12 8.33D-09 XBig12= 3.00D-13 8.87D-09.
      1 vectors produced by pass 93 Test12= 3.94D-12 8.33D-09 XBig12= 3.62D-13 1.26D-08.
      1 vectors produced by pass 94 Test12= 3.94D-12 8.33D-09 XBig12= 3.35D-13 1.09D-08.
      1 vectors produced by pass 95 Test12= 3.94D-12 8.33D-09 XBig12= 3.43D-13 1.40D-08.
      1 vectors produced by pass 96 Test12= 3.94D-12 8.33D-09 XBig12= 3.66D-13 1.16D-08.
      1 vectors produced by pass 97 Test12= 3.94D-12 8.33D-09 XBig12= 3.53D-13 1.04D-08.
      1 vectors produced by pass 98 Test12= 3.94D-12 8.33D-09 XBig12= 3.68D-13 1.09D-08.
      1 vectors produced by pass 99 Test12= 3.94D-12 8.33D-09 XBig12= 3.72D-13 1.19D-08.
      1 vectors produced by pass100 Test12= 3.94D-12 8.33D-09 XBig12= 4.21D-13 1.07D-08.
      1 vectors produced by pass101 Test12= 3.94D-12 8.33D-09 XBig12= 3.81D-13 1.42D-08.
      1 vectors produced by pass102 Test12= 3.94D-12 8.33D-09 XBig12= 3.43D-13 9.72D-09.
      1 vectors produced by pass103 Test12= 3.94D-12 8.33D-09 XBig12= 3.55D-13 1.00D-08.
      1 vectors produced by pass104 Test12= 3.94D-12 8.33D-09 XBig12= 3.48D-13 1.01D-08.
      1 vectors produced by pass105 Test12= 3.94D-12 8.33D-09 XBig12= 3.35D-13 1.01D-08.
      1 vectors produced by pass106 Test12= 3.94D-12 8.33D-09 XBig12= 3.67D-13 9.56D-09.
      1 vectors produced by pass107 Test12= 3.94D-12 8.33D-09 XBig12= 3.92D-13 1.11D-08.
      1 vectors produced by pass108 Test12= 3.94D-12 8.33D-09 XBig12= 3.44D-13 1.16D-08.
      1 vectors produced by pass109 Test12= 3.94D-12 8.33D-09 XBig12= 3.34D-13 1.06D-08.
      1 vectors produced by pass110 Test12= 3.94D-12 8.33D-09 XBig12= 3.37D-13 9.88D-09.
      1 vectors produced by pass111 Test12= 3.94D-12 8.33D-09 XBig12= 2.96D-13 1.16D-08.
      1 vectors produced by pass112 Test12= 3.94D-12 8.33D-09 XBig12= 3.30D-13 1.18D-08.
      1 vectors produced by pass113 Test12= 3.94D-12 8.33D-09 XBig12= 3.30D-13 1.01D-08.
      1 vectors produced by pass114 Test12= 3.94D-12 8.33D-09 XBig12= 3.69D-13 1.01D-08.
      1 vectors produced by pass115 Test12= 3.94D-12 8.33D-09 XBig12= 3.14D-13 1.11D-08.
      1 vectors produced by pass116 Test12= 3.94D-12 8.33D-09 XBig12= 3.34D-13 1.20D-08.
      1 vectors produced by pass117 Test12= 3.94D-12 8.33D-09 XBig12= 2.73D-13 1.01D-08.
      1 vectors produced by pass118 Test12= 3.94D-12 8.33D-09 XBig12= 3.28D-13 1.36D-08.
      1 vectors produced by pass119 Test12= 3.94D-12 8.33D-09 XBig12= 3.20D-13 9.80D-09.
      1 vectors produced by pass120 Test12= 3.94D-12 8.33D-09 XBig12= 3.23D-13 1.09D-08.
      1 vectors produced by pass121 Test12= 3.94D-12 8.33D-09 XBig12= 3.09D-13 1.13D-08.
      1 vectors produced by pass122 Test12= 3.94D-12 8.33D-09 XBig12= 3.44D-13 1.19D-08.
      1 vectors produced by pass123 Test12= 3.94D-12 8.33D-09 XBig12= 2.74D-13 8.86D-09.
      1 vectors produced by pass124 Test12= 3.94D-12 8.33D-09 XBig12= 2.78D-13 9.85D-09.
      1 vectors produced by pass125 Test12= 3.94D-12 8.33D-09 XBig12= 2.86D-13 8.57D-09.
      1 vectors produced by pass126 Test12= 3.94D-12 8.33D-09 XBig12= 3.01D-13 9.43D-09.
      1 vectors produced by pass127 Test12= 3.94D-12 8.33D-09 XBig12= 2.49D-13 8.71D-09.
      1 vectors produced by pass128 Test12= 3.94D-12 8.33D-09 XBig12= 3.38D-13 1.00D-08.
      1 vectors produced by pass129 Test12= 3.94D-12 8.33D-09 XBig12= 2.62D-13 9.45D-09.
      1 vectors produced by pass130 Test12= 3.94D-12 8.33D-09 XBig12= 2.91D-13 8.92D-09.
      1 vectors produced by pass131 Test12= 3.94D-12 8.33D-09 XBig12= 2.74D-13 9.72D-09.
      1 vectors produced by pass132 Test12= 3.94D-12 8.33D-09 XBig12= 2.88D-13 8.56D-09.
      1 vectors produced by pass133 Test12= 3.94D-12 8.33D-09 XBig12= 3.03D-13 1.00D-08.
      1 vectors produced by pass134 Test12= 3.94D-12 8.33D-09 XBig12= 3.21D-13 1.30D-08.
      1 vectors produced by pass135 Test12= 3.94D-12 8.33D-09 XBig12= 2.78D-13 9.26D-09.
      1 vectors produced by pass136 Test12= 3.94D-12 8.33D-09 XBig12= 2.86D-13 9.75D-09.
      1 vectors produced by pass137 Test12= 3.94D-12 8.33D-09 XBig12= 2.77D-13 8.89D-09.
      1 vectors produced by pass138 Test12= 3.94D-12 8.33D-09 XBig12= 2.67D-13 9.40D-09.
      1 vectors produced by pass139 Test12= 3.94D-12 8.33D-09 XBig12= 2.55D-13 9.34D-09.
      1 vectors produced by pass140 Test12= 3.94D-12 8.33D-09 XBig12= 2.52D-13 8.77D-09.
      1 vectors produced by pass141 Test12= 3.94D-12 8.33D-09 XBig12= 2.93D-13 8.81D-09.
      1 vectors produced by pass142 Test12= 3.94D-12 8.33D-09 XBig12= 2.62D-13 8.50D-09.
      1 vectors produced by pass143 Test12= 3.94D-12 8.33D-09 XBig12= 2.89D-13 1.10D-08.
      1 vectors produced by pass144 Test12= 3.94D-12 8.33D-09 XBig12= 2.83D-13 9.68D-09.
      1 vectors produced by pass145 Test12= 3.94D-12 8.33D-09 XBig12= 3.00D-13 1.09D-08.
      1 vectors produced by pass146 Test12= 3.94D-12 8.33D-09 XBig12= 2.80D-13 1.01D-08.
      1 vectors produced by pass147 Test12= 3.94D-12 8.33D-09 XBig12= 2.68D-13 8.48D-09.
      1 vectors produced by pass148 Test12= 3.94D-12 8.33D-09 XBig12= 2.40D-13 9.87D-09.
      1 vectors produced by pass149 Test12= 3.94D-12 8.33D-09 XBig12= 2.98D-13 1.01D-08.
      1 vectors produced by pass150 Test12= 3.94D-12 8.33D-09 XBig12= 2.55D-13 1.07D-08.
      1 vectors produced by pass151 Test12= 3.94D-12 8.33D-09 XBig12= 2.99D-13 9.27D-09.
      1 vectors produced by pass152 Test12= 3.94D-12 8.33D-09 XBig12= 2.54D-13 9.64D-09.
      1 vectors produced by pass153 Test12= 3.94D-12 8.33D-09 XBig12= 2.47D-13 8.75D-09.
      1 vectors produced by pass154 Test12= 3.94D-12 8.33D-09 XBig12= 2.53D-13 8.81D-09.
      1 vectors produced by pass155 Test12= 3.94D-12 8.33D-09 XBig12= 2.71D-13 9.58D-09.
      1 vectors produced by pass156 Test12= 3.94D-12 8.33D-09 XBig12= 2.72D-13 9.39D-09.
      1 vectors produced by pass157 Test12= 3.94D-12 8.33D-09 XBig12= 2.59D-13 9.30D-09.
      1 vectors produced by pass158 Test12= 3.94D-12 8.33D-09 XBig12= 2.57D-13 9.73D-09.
      1 vectors produced by pass159 Test12= 3.94D-12 8.33D-09 XBig12= 2.82D-13 8.69D-09.
      1 vectors produced by pass160 Test12= 3.94D-12 8.33D-09 XBig12= 2.44D-13 8.73D-09.
      1 vectors produced by pass161 Test12= 3.94D-12 8.33D-09 XBig12= 2.61D-13 9.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.41D-13
 Solved reduced A of dimension   383 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.543181D+03
      2  0.380827D+02  0.342251D+03
      3 -0.137341D-01 -0.183699D-02  0.252650D+03
 Isotropic polarizability for W=    0.085645      379.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.242245D+00  0.179507D-01 -0.636471D+00
      2  -0.186591D+00  0.222846D-01 -0.109753D+03
      3  -0.556539D-01 -0.402352D-01  0.110390D+03
      4  -0.756973D-01 -0.588778D-01  0.877023D+02
      5   0.158233D+03  0.918448D+02  0.384817D-01
      6   0.682570D+02  0.468467D+02 -0.121585D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.867779D+02  0.226410D+02  0.398276D-01
      2  -0.206099D+03  0.215103D+02  0.533712D-01
      3  -0.256513D+01  0.192479D+00 -0.167462D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.414252D+01  0.156600D+03  0.813502D-01
      2  -0.158870D+03  0.194452D+02  0.941356D-01
      3  -0.936480D-01 -0.127713D+00 -0.235877D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.341771D+01  0.455807D+02  0.629788D+00
      2   0.455807D+02  0.398771D+02 -0.656599D-01
      3   0.629788D+00 -0.656599D-01  0.482472D+02
 OR G Eigenvalues:   -27.4477    48.2473    70.7424  Iso=   -30.5140
 Eigenvectors:
   (1)   0.828044  -0.560615  -0.007376
   (2)  -0.001338  -0.015132   0.999885
   (3)   0.560662   0.827938   0.013280
 w=    0.085645 a.u., Optical Rotation Beta=    -30.5140 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =    -2593.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  468996 ScalPx= 6.47D+02
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  468996 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 1.30D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-13 2.78D-09 XBig12= 1.00D+00 5.56D-01.
     30 vectors produced by pass  1 Test12= 6.57D-13 2.78D-09 XBig12= 8.10D-01 5.03D-01.
     30 vectors produced by pass  2 Test12= 6.57D-13 2.78D-09 XBig12= 5.16D-02 7.30D-02.
     30 vectors produced by pass  3 Test12= 6.57D-13 2.78D-09 XBig12= 3.38D-03 9.84D-03.
     30 vectors produced by pass  4 Test12= 6.57D-13 2.78D-09 XBig12= 3.38D-04 2.49D-03.
     30 vectors produced by pass  5 Test12= 6.57D-13 2.78D-09 XBig12= 2.45D-05 5.62D-04.
     30 vectors produced by pass  6 Test12= 6.57D-13 2.78D-09 XBig12= 8.82D-07 1.01D-04.
     30 vectors produced by pass  7 Test12= 6.57D-13 2.78D-09 XBig12= 5.27D-08 1.72D-05.
     30 vectors produced by pass  8 Test12= 6.57D-13 2.78D-09 XBig12= 2.14D-09 3.89D-06.
     30 vectors produced by pass  9 Test12= 6.57D-13 2.78D-09 XBig12= 2.41D-10 8.13D-07.
     30 vectors produced by pass 10 Test12= 6.57D-13 2.78D-09 XBig12= 6.48D-11 4.56D-07.
     19 vectors produced by pass 11 Test12= 6.57D-13 2.78D-09 XBig12= 2.22D-11 1.66D-07.
      5 vectors produced by pass 12 Test12= 6.57D-13 2.78D-09 XBig12= 4.42D-12 7.68D-08.
      3 vectors produced by pass 13 Test12= 6.57D-13 2.78D-09 XBig12= 1.63D-12 4.66D-08.
      2 vectors produced by pass 14 Test12= 6.57D-13 2.78D-09 XBig12= 9.38D-13 3.01D-08.
      2 vectors produced by pass 15 Test12= 6.57D-13 2.78D-09 XBig12= 7.36D-13 3.15D-08.
      2 vectors produced by pass 16 Test12= 6.57D-13 2.78D-09 XBig12= 7.25D-13 2.22D-08.
      2 vectors produced by pass 17 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-13 1.61D-08.
      2 vectors produced by pass 18 Test12= 6.57D-13 2.78D-09 XBig12= 6.31D-13 2.09D-08.
      2 vectors produced by pass 19 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-13 1.49D-08.
      2 vectors produced by pass 20 Test12= 6.57D-13 2.78D-09 XBig12= 4.03D-13 1.52D-08.
      2 vectors produced by pass 21 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-13 1.57D-08.
      2 vectors produced by pass 22 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-13 1.66D-08.
      2 vectors produced by pass 23 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-13 1.62D-08.
      2 vectors produced by pass 24 Test12= 6.57D-13 2.78D-09 XBig12= 2.18D-13 1.17D-08.
      2 vectors produced by pass 25 Test12= 6.57D-13 2.78D-09 XBig12= 2.32D-13 1.21D-08.
      2 vectors produced by pass 26 Test12= 6.57D-13 2.78D-09 XBig12= 1.62D-13 9.41D-09.
      2 vectors produced by pass 27 Test12= 6.57D-13 2.78D-09 XBig12= 1.62D-13 1.12D-08.
      2 vectors produced by pass 28 Test12= 6.57D-13 2.78D-09 XBig12= 1.70D-13 9.76D-09.
      2 vectors produced by pass 29 Test12= 6.57D-13 2.78D-09 XBig12= 1.59D-13 9.75D-09.
      2 vectors produced by pass 30 Test12= 6.57D-13 2.78D-09 XBig12= 1.56D-13 1.03D-08.
      2 vectors produced by pass 31 Test12= 6.57D-13 2.78D-09 XBig12= 1.29D-13 9.46D-09.
      2 vectors produced by pass 32 Test12= 6.57D-13 2.78D-09 XBig12= 1.14D-13 7.96D-09.
      2 vectors produced by pass 33 Test12= 6.57D-13 2.78D-09 XBig12= 1.13D-13 8.87D-09.
      2 vectors produced by pass 34 Test12= 6.57D-13 2.78D-09 XBig12= 1.37D-13 8.29D-09.
      2 vectors produced by pass 35 Test12= 6.57D-13 2.78D-09 XBig12= 1.40D-13 8.12D-09.
      2 vectors produced by pass 36 Test12= 6.57D-13 2.78D-09 XBig12= 1.38D-13 7.75D-09.
      2 vectors produced by pass 37 Test12= 6.57D-13 2.78D-09 XBig12= 1.37D-13 9.87D-09.
      2 vectors produced by pass 38 Test12= 6.57D-13 2.78D-09 XBig12= 1.25D-13 9.65D-09.
      2 vectors produced by pass 39 Test12= 6.57D-13 2.78D-09 XBig12= 1.26D-13 8.36D-09.
      2 vectors produced by pass 40 Test12= 6.57D-13 2.78D-09 XBig12= 1.30D-13 9.46D-09.
      2 vectors produced by pass 41 Test12= 6.57D-13 2.78D-09 XBig12= 1.24D-13 8.08D-09.
      2 vectors produced by pass 42 Test12= 6.57D-13 2.78D-09 XBig12= 1.27D-13 8.19D-09.
      2 vectors produced by pass 43 Test12= 6.57D-13 2.78D-09 XBig12= 1.16D-13 7.44D-09.
      2 vectors produced by pass 44 Test12= 6.57D-13 2.78D-09 XBig12= 1.14D-13 8.36D-09.
      2 vectors produced by pass 45 Test12= 6.57D-13 2.78D-09 XBig12= 1.05D-13 7.53D-09.
      2 vectors produced by pass 46 Test12= 6.57D-13 2.78D-09 XBig12= 1.03D-13 7.65D-09.
      2 vectors produced by pass 47 Test12= 6.57D-13 2.78D-09 XBig12= 1.10D-13 9.42D-09.
      2 vectors produced by pass 48 Test12= 6.57D-13 2.78D-09 XBig12= 1.02D-13 6.74D-09.
      2 vectors produced by pass 49 Test12= 6.57D-13 2.78D-09 XBig12= 1.14D-13 7.61D-09.
      2 vectors produced by pass 50 Test12= 6.57D-13 2.78D-09 XBig12= 1.02D-13 9.55D-09.
      2 vectors produced by pass 51 Test12= 6.57D-13 2.78D-09 XBig12= 1.08D-13 6.39D-09.
      2 vectors produced by pass 52 Test12= 6.57D-13 2.78D-09 XBig12= 1.11D-13 1.00D-08.
      2 vectors produced by pass 53 Test12= 6.57D-13 2.78D-09 XBig12= 1.20D-13 7.69D-09.
      2 vectors produced by pass 54 Test12= 6.57D-13 2.78D-09 XBig12= 1.02D-13 8.85D-09.
      2 vectors produced by pass 55 Test12= 6.57D-13 2.78D-09 XBig12= 1.04D-13 8.02D-09.
      2 vectors produced by pass 56 Test12= 6.57D-13 2.78D-09 XBig12= 1.15D-13 8.12D-09.
      2 vectors produced by pass 57 Test12= 6.57D-13 2.78D-09 XBig12= 9.90D-14 8.60D-09.
      2 vectors produced by pass 58 Test12= 6.57D-13 2.78D-09 XBig12= 9.06D-14 8.34D-09.
      2 vectors produced by pass 59 Test12= 6.57D-13 2.78D-09 XBig12= 8.15D-14 7.17D-09.
      2 vectors produced by pass 60 Test12= 6.57D-13 2.78D-09 XBig12= 9.01D-14 6.40D-09.
      2 vectors produced by pass 61 Test12= 6.57D-13 2.78D-09 XBig12= 8.26D-14 7.05D-09.
      2 vectors produced by pass 62 Test12= 6.57D-13 2.78D-09 XBig12= 9.15D-14 8.97D-09.
      2 vectors produced by pass 63 Test12= 6.57D-13 2.78D-09 XBig12= 7.20D-14 6.93D-09.
      2 vectors produced by pass 64 Test12= 6.57D-13 2.78D-09 XBig12= 7.86D-14 6.60D-09.
      2 vectors produced by pass 65 Test12= 6.57D-13 2.78D-09 XBig12= 6.75D-14 6.50D-09.
      2 vectors produced by pass 66 Test12= 6.57D-13 2.78D-09 XBig12= 7.43D-14 6.70D-09.
      2 vectors produced by pass 67 Test12= 6.57D-13 2.78D-09 XBig12= 6.79D-14 6.50D-09.
      2 vectors produced by pass 68 Test12= 6.57D-13 2.78D-09 XBig12= 7.55D-14 7.84D-09.
      2 vectors produced by pass 69 Test12= 6.57D-13 2.78D-09 XBig12= 7.97D-14 8.01D-09.
      2 vectors produced by pass 70 Test12= 6.57D-13 2.78D-09 XBig12= 6.93D-14 5.85D-09.
      2 vectors produced by pass 71 Test12= 6.57D-13 2.78D-09 XBig12= 8.07D-14 6.65D-09.
      2 vectors produced by pass 72 Test12= 6.57D-13 2.78D-09 XBig12= 6.72D-14 6.50D-09.
      2 vectors produced by pass 73 Test12= 6.57D-13 2.78D-09 XBig12= 7.30D-14 6.85D-09.
      2 vectors produced by pass 74 Test12= 6.57D-13 2.78D-09 XBig12= 6.40D-14 5.76D-09.
      2 vectors produced by pass 75 Test12= 6.57D-13 2.78D-09 XBig12= 7.41D-14 6.41D-09.
      2 vectors produced by pass 76 Test12= 6.57D-13 2.78D-09 XBig12= 6.75D-14 5.96D-09.
      2 vectors produced by pass 77 Test12= 6.57D-13 2.78D-09 XBig12= 6.78D-14 5.20D-09.
      2 vectors produced by pass 78 Test12= 6.57D-13 2.78D-09 XBig12= 7.16D-14 5.93D-09.
      2 vectors produced by pass 79 Test12= 6.57D-13 2.78D-09 XBig12= 7.10D-14 5.31D-09.
      2 vectors produced by pass 80 Test12= 6.57D-13 2.78D-09 XBig12= 5.75D-14 4.99D-09.
      2 vectors produced by pass 81 Test12= 6.57D-13 2.78D-09 XBig12= 6.04D-14 5.24D-09.
      2 vectors produced by pass 82 Test12= 6.57D-13 2.78D-09 XBig12= 6.06D-14 5.89D-09.
      2 vectors produced by pass 83 Test12= 6.57D-13 2.78D-09 XBig12= 6.10D-14 4.91D-09.
      2 vectors produced by pass 84 Test12= 6.57D-13 2.78D-09 XBig12= 6.23D-14 4.95D-09.
      2 vectors produced by pass 85 Test12= 6.57D-13 2.78D-09 XBig12= 6.34D-14 5.36D-09.
      2 vectors produced by pass 86 Test12= 6.57D-13 2.78D-09 XBig12= 7.96D-14 6.26D-09.
      2 vectors produced by pass 87 Test12= 6.57D-13 2.78D-09 XBig12= 7.26D-14 5.72D-09.
      2 vectors produced by pass 88 Test12= 6.57D-13 2.78D-09 XBig12= 8.14D-14 6.57D-09.
      2 vectors produced by pass 89 Test12= 6.57D-13 2.78D-09 XBig12= 6.23D-14 5.07D-09.
      2 vectors produced by pass 90 Test12= 6.57D-13 2.78D-09 XBig12= 6.09D-14 4.84D-09.
      2 vectors produced by pass 91 Test12= 6.57D-13 2.78D-09 XBig12= 6.02D-14 5.24D-09.
      2 vectors produced by pass 92 Test12= 6.57D-13 2.78D-09 XBig12= 5.65D-14 5.19D-09.
      2 vectors produced by pass 93 Test12= 6.57D-13 2.78D-09 XBig12= 5.20D-14 6.13D-09.
      2 vectors produced by pass 94 Test12= 6.57D-13 2.78D-09 XBig12= 5.90D-14 5.20D-09.
      2 vectors produced by pass 95 Test12= 6.57D-13 2.78D-09 XBig12= 5.80D-14 5.39D-09.
      2 vectors produced by pass 96 Test12= 6.57D-13 2.78D-09 XBig12= 6.04D-14 7.62D-09.
      2 vectors produced by pass 97 Test12= 6.57D-13 2.78D-09 XBig12= 5.29D-14 5.68D-09.
      2 vectors produced by pass 98 Test12= 6.57D-13 2.78D-09 XBig12= 5.03D-14 6.50D-09.
      2 vectors produced by pass 99 Test12= 6.57D-13 2.78D-09 XBig12= 5.75D-14 5.22D-09.
      2 vectors produced by pass100 Test12= 6.57D-13 2.78D-09 XBig12= 5.76D-14 6.72D-09.
      2 vectors produced by pass101 Test12= 6.57D-13 2.78D-09 XBig12= 5.01D-14 5.15D-09.
      2 vectors produced by pass102 Test12= 6.57D-13 2.78D-09 XBig12= 4.75D-14 5.14D-09.
      2 vectors produced by pass103 Test12= 6.57D-13 2.78D-09 XBig12= 5.13D-14 5.54D-09.
      2 vectors produced by pass104 Test12= 6.57D-13 2.78D-09 XBig12= 4.91D-14 5.09D-09.
      2 vectors produced by pass105 Test12= 6.57D-13 2.78D-09 XBig12= 5.54D-14 5.14D-09.
      2 vectors produced by pass106 Test12= 6.57D-13 2.78D-09 XBig12= 4.82D-14 4.81D-09.
      2 vectors produced by pass107 Test12= 6.57D-13 2.78D-09 XBig12= 5.57D-14 4.92D-09.
      2 vectors produced by pass108 Test12= 6.57D-13 2.78D-09 XBig12= 5.51D-14 5.61D-09.
      2 vectors produced by pass109 Test12= 6.57D-13 2.78D-09 XBig12= 5.78D-14 5.12D-09.
      2 vectors produced by pass110 Test12= 6.57D-13 2.78D-09 XBig12= 5.21D-14 4.53D-09.
      2 vectors produced by pass111 Test12= 6.57D-13 2.78D-09 XBig12= 5.21D-14 6.11D-09.
      2 vectors produced by pass112 Test12= 6.57D-13 2.78D-09 XBig12= 4.63D-14 4.70D-09.
      2 vectors produced by pass113 Test12= 6.57D-13 2.78D-09 XBig12= 5.34D-14 5.43D-09.
      2 vectors produced by pass114 Test12= 6.57D-13 2.78D-09 XBig12= 4.79D-14 5.52D-09.
      2 vectors produced by pass115 Test12= 6.57D-13 2.78D-09 XBig12= 4.84D-14 5.65D-09.
      2 vectors produced by pass116 Test12= 6.57D-13 2.78D-09 XBig12= 4.67D-14 5.23D-09.
      2 vectors produced by pass117 Test12= 6.57D-13 2.78D-09 XBig12= 4.47D-14 5.05D-09.
      2 vectors produced by pass118 Test12= 6.57D-13 2.78D-09 XBig12= 4.39D-14 4.94D-09.
      2 vectors produced by pass119 Test12= 6.57D-13 2.78D-09 XBig12= 4.61D-14 4.48D-09.
      2 vectors produced by pass120 Test12= 6.57D-13 2.78D-09 XBig12= 4.64D-14 5.02D-09.
      2 vectors produced by pass121 Test12= 6.57D-13 2.78D-09 XBig12= 4.56D-14 5.10D-09.
      2 vectors produced by pass122 Test12= 6.57D-13 2.78D-09 XBig12= 4.38D-14 4.93D-09.
      2 vectors produced by pass123 Test12= 6.57D-13 2.78D-09 XBig12= 4.61D-14 4.78D-09.
      2 vectors produced by pass124 Test12= 6.57D-13 2.78D-09 XBig12= 4.74D-14 4.99D-09.
      2 vectors produced by pass125 Test12= 6.57D-13 2.78D-09 XBig12= 4.54D-14 5.07D-09.
      2 vectors produced by pass126 Test12= 6.57D-13 2.78D-09 XBig12= 1.01D-13 9.27D-09.
      2 vectors produced by pass127 Test12= 6.57D-13 2.78D-09 XBig12= 5.24D-14 5.58D-09.
      2 vectors produced by pass128 Test12= 6.57D-13 2.78D-09 XBig12= 5.65D-14 5.33D-09.
      2 vectors produced by pass129 Test12= 6.57D-13 2.78D-09 XBig12= 4.63D-14 4.49D-09.
      2 vectors produced by pass130 Test12= 6.57D-13 2.78D-09 XBig12= 4.58D-14 4.80D-09.
      2 vectors produced by pass131 Test12= 6.57D-13 2.78D-09 XBig12= 5.09D-14 5.55D-09.
      2 vectors produced by pass132 Test12= 6.57D-13 2.78D-09 XBig12= 5.11D-14 4.99D-09.
      2 vectors produced by pass133 Test12= 6.57D-13 2.78D-09 XBig12= 4.83D-14 5.91D-09.
      2 vectors produced by pass134 Test12= 6.57D-13 2.78D-09 XBig12= 4.27D-14 4.83D-09.
      2 vectors produced by pass135 Test12= 6.57D-13 2.78D-09 XBig12= 4.65D-14 4.77D-09.
      2 vectors produced by pass136 Test12= 6.57D-13 2.78D-09 XBig12= 4.63D-14 5.62D-09.
      2 vectors produced by pass137 Test12= 6.57D-13 2.78D-09 XBig12= 4.71D-14 6.34D-09.
      2 vectors produced by pass138 Test12= 6.57D-13 2.78D-09 XBig12= 4.37D-14 4.87D-09.
      2 vectors produced by pass139 Test12= 6.57D-13 2.78D-09 XBig12= 4.47D-14 4.53D-09.
      2 vectors produced by pass140 Test12= 6.57D-13 2.78D-09 XBig12= 4.54D-14 5.35D-09.
      2 vectors produced by pass141 Test12= 6.57D-13 2.78D-09 XBig12= 4.29D-14 5.63D-09.
      2 vectors produced by pass142 Test12= 6.57D-13 2.78D-09 XBig12= 4.63D-14 5.58D-09.
      2 vectors produced by pass143 Test12= 6.57D-13 2.78D-09 XBig12= 4.62D-14 4.97D-09.
      2 vectors produced by pass144 Test12= 6.57D-13 2.78D-09 XBig12= 3.94D-14 4.97D-09.
      2 vectors produced by pass145 Test12= 6.57D-13 2.78D-09 XBig12= 4.42D-14 5.27D-09.
      2 vectors produced by pass146 Test12= 6.57D-13 2.78D-09 XBig12= 4.43D-14 4.26D-09.
      2 vectors produced by pass147 Test12= 6.57D-13 2.78D-09 XBig12= 4.28D-14 4.94D-09.
      2 vectors produced by pass148 Test12= 6.57D-13 2.78D-09 XBig12= 4.51D-14 4.21D-09.
      2 vectors produced by pass149 Test12= 6.57D-13 2.78D-09 XBig12= 4.43D-14 4.38D-09.
      2 vectors produced by pass150 Test12= 6.57D-13 2.78D-09 XBig12= 4.46D-14 4.35D-09.
      2 vectors produced by pass151 Test12= 6.57D-13 2.78D-09 XBig12= 4.31D-14 5.70D-09.
      2 vectors produced by pass152 Test12= 6.57D-13 2.78D-09 XBig12= 4.46D-14 5.50D-09.
      2 vectors produced by pass153 Test12= 6.57D-13 2.78D-09 XBig12= 4.04D-14 4.08D-09.
      2 vectors produced by pass154 Test12= 6.57D-13 2.78D-09 XBig12= 4.45D-14 4.73D-09.
      2 vectors produced by pass155 Test12= 6.57D-13 2.78D-09 XBig12= 3.94D-14 4.03D-09.
      2 vectors produced by pass156 Test12= 6.57D-13 2.78D-09 XBig12= 4.18D-14 4.34D-09.
      2 vectors produced by pass157 Test12= 6.57D-13 2.78D-09 XBig12= 4.12D-14 5.90D-09.
      2 vectors produced by pass158 Test12= 6.57D-13 2.78D-09 XBig12= 4.15D-14 4.25D-09.
      2 vectors produced by pass159 Test12= 6.57D-13 2.78D-09 XBig12= 4.12D-14 4.30D-09.
      2 vectors produced by pass160 Test12= 6.57D-13 2.78D-09 XBig12= 3.91D-14 4.54D-09.
      2 vectors produced by pass161 Test12= 6.57D-13 2.78D-09 XBig12= 3.89D-14 4.18D-09.
      2 vectors produced by pass162 Test12= 6.57D-13 2.78D-09 XBig12= 3.85D-14 4.43D-09.
      2 vectors produced by pass163 Test12= 6.57D-13 2.78D-09 XBig12= 4.36D-14 4.81D-09.
      2 vectors produced by pass164 Test12= 6.57D-13 2.78D-09 XBig12= 4.29D-14 4.52D-09.
      2 vectors produced by pass165 Test12= 6.57D-13 2.78D-09 XBig12= 4.69D-14 5.95D-09.
      2 vectors produced by pass166 Test12= 6.57D-13 2.78D-09 XBig12= 4.48D-14 4.36D-09.
      2 vectors produced by pass167 Test12= 6.57D-13 2.78D-09 XBig12= 4.13D-14 5.08D-09.
      2 vectors produced by pass168 Test12= 6.57D-13 2.78D-09 XBig12= 4.39D-14 4.82D-09.
      2 vectors produced by pass169 Test12= 6.57D-13 2.78D-09 XBig12= 4.00D-14 4.55D-09.
      2 vectors produced by pass170 Test12= 6.57D-13 2.78D-09 XBig12= 4.83D-14 5.49D-09.
      2 vectors produced by pass171 Test12= 6.57D-13 2.78D-09 XBig12= 4.08D-14 4.36D-09.
      2 vectors produced by pass172 Test12= 6.57D-13 2.78D-09 XBig12= 4.30D-14 5.38D-09.
      2 vectors produced by pass173 Test12= 6.57D-13 2.78D-09 XBig12= 3.95D-14 4.21D-09.
      2 vectors produced by pass174 Test12= 6.57D-13 2.78D-09 XBig12= 4.14D-14 4.44D-09.
      2 vectors produced by pass175 Test12= 6.57D-13 2.78D-09 XBig12= 3.70D-14 3.94D-09.
      2 vectors produced by pass176 Test12= 6.57D-13 2.78D-09 XBig12= 3.83D-14 4.50D-09.
      2 vectors produced by pass177 Test12= 6.57D-13 2.78D-09 XBig12= 3.91D-14 4.03D-09.
      2 vectors produced by pass178 Test12= 6.57D-13 2.78D-09 XBig12= 4.10D-14 4.59D-09.
      2 vectors produced by pass179 Test12= 6.57D-13 2.78D-09 XBig12= 4.04D-14 4.45D-09.
      2 vectors produced by pass180 Test12= 6.57D-13 2.78D-09 XBig12= 4.20D-14 4.22D-09.
      2 vectors produced by pass181 Test12= 6.57D-13 2.78D-09 XBig12= 4.19D-14 4.20D-09.
      2 vectors produced by pass182 Test12= 6.57D-13 2.78D-09 XBig12= 4.04D-14 4.34D-09.
      2 vectors produced by pass183 Test12= 6.57D-13 2.78D-09 XBig12= 4.05D-14 4.31D-09.
      2 vectors produced by pass184 Test12= 6.57D-13 2.78D-09 XBig12= 3.91D-14 4.31D-09.
      2 vectors produced by pass185 Test12= 6.57D-13 2.78D-09 XBig12= 4.20D-14 4.89D-09.
      2 vectors produced by pass186 Test12= 6.57D-13 2.78D-09 XBig12= 4.03D-14 4.34D-09.
      2 vectors produced by pass187 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 4.18D-09.
      2 vectors produced by pass188 Test12= 6.57D-13 2.78D-09 XBig12= 4.11D-14 4.18D-09.
      2 vectors produced by pass189 Test12= 6.57D-13 2.78D-09 XBig12= 3.80D-14 4.62D-09.
      2 vectors produced by pass190 Test12= 6.57D-13 2.78D-09 XBig12= 3.90D-14 4.46D-09.
      2 vectors produced by pass191 Test12= 6.57D-13 2.78D-09 XBig12= 3.67D-14 4.33D-09.
      2 vectors produced by pass192 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 4.73D-09.
      2 vectors produced by pass193 Test12= 6.57D-13 2.78D-09 XBig12= 3.92D-14 4.10D-09.
      2 vectors produced by pass194 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 4.98D-09.
      2 vectors produced by pass195 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 4.47D-09.
      2 vectors produced by pass196 Test12= 6.57D-13 2.78D-09 XBig12= 3.65D-14 4.55D-09.
      2 vectors produced by pass197 Test12= 6.57D-13 2.78D-09 XBig12= 3.65D-14 4.32D-09.
      2 vectors produced by pass198 Test12= 6.57D-13 2.78D-09 XBig12= 3.94D-14 4.51D-09.
      2 vectors produced by pass199 Test12= 6.57D-13 2.78D-09 XBig12= 3.96D-14 4.41D-09.
      2 vectors produced by pass200 Test12= 6.57D-13 2.78D-09 XBig12= 3.70D-14 4.29D-09.
      2 vectors produced by pass201 Test12= 6.57D-13 2.78D-09 XBig12= 3.78D-14 4.16D-09.
      2 vectors produced by pass202 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-14 5.25D-09.
      2 vectors produced by pass203 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 3.69D-09.
      2 vectors produced by pass204 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 4.93D-09.
      2 vectors produced by pass205 Test12= 6.57D-13 2.78D-09 XBig12= 3.61D-14 4.41D-09.
      2 vectors produced by pass206 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 4.40D-09.
      2 vectors produced by pass207 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 4.32D-09.
      2 vectors produced by pass208 Test12= 6.57D-13 2.78D-09 XBig12= 3.27D-14 4.22D-09.
      2 vectors produced by pass209 Test12= 6.57D-13 2.78D-09 XBig12= 3.31D-14 4.35D-09.
      2 vectors produced by pass210 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 3.68D-09.
      2 vectors produced by pass211 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 4.14D-09.
      2 vectors produced by pass212 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 3.96D-09.
      2 vectors produced by pass213 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 4.08D-09.
      2 vectors produced by pass214 Test12= 6.57D-13 2.78D-09 XBig12= 3.57D-14 4.63D-09.
      2 vectors produced by pass215 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 4.05D-09.
      2 vectors produced by pass216 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 5.46D-09.
      2 vectors produced by pass217 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 5.26D-09.
      2 vectors produced by pass218 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 4.62D-09.
      2 vectors produced by pass219 Test12= 6.57D-13 2.78D-09 XBig12= 3.51D-14 3.85D-09.
      2 vectors produced by pass220 Test12= 6.57D-13 2.78D-09 XBig12= 3.40D-14 4.03D-09.
      2 vectors produced by pass221 Test12= 6.57D-13 2.78D-09 XBig12= 3.79D-14 4.50D-09.
      2 vectors produced by pass222 Test12= 6.57D-13 2.78D-09 XBig12= 3.73D-14 4.39D-09.
      2 vectors produced by pass223 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 4.38D-09.
      2 vectors produced by pass224 Test12= 6.57D-13 2.78D-09 XBig12= 3.67D-14 3.87D-09.
      2 vectors produced by pass225 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 4.23D-09.
      2 vectors produced by pass226 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 3.56D-09.
      2 vectors produced by pass227 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 4.13D-09.
      2 vectors produced by pass228 Test12= 6.57D-13 2.78D-09 XBig12= 3.65D-14 4.37D-09.
      2 vectors produced by pass229 Test12= 6.57D-13 2.78D-09 XBig12= 3.29D-14 4.12D-09.
      2 vectors produced by pass230 Test12= 6.57D-13 2.78D-09 XBig12= 3.18D-14 3.62D-09.
      2 vectors produced by pass231 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 3.62D-09.
      2 vectors produced by pass232 Test12= 6.57D-13 2.78D-09 XBig12= 3.63D-14 4.07D-09.
      2 vectors produced by pass233 Test12= 6.57D-13 2.78D-09 XBig12= 3.63D-14 3.78D-09.
      2 vectors produced by pass234 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 3.99D-09.
      2 vectors produced by pass235 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 4.00D-09.
      2 vectors produced by pass236 Test12= 6.57D-13 2.78D-09 XBig12= 3.64D-14 4.16D-09.
      2 vectors produced by pass237 Test12= 6.57D-13 2.78D-09 XBig12= 3.49D-14 3.63D-09.
      2 vectors produced by pass238 Test12= 6.57D-13 2.78D-09 XBig12= 3.55D-14 4.20D-09.
      2 vectors produced by pass239 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 4.14D-09.
      2 vectors produced by pass240 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.48D-09.
      2 vectors produced by pass241 Test12= 6.57D-13 2.78D-09 XBig12= 3.24D-14 4.34D-09.
      2 vectors produced by pass242 Test12= 6.57D-13 2.78D-09 XBig12= 2.99D-14 3.40D-09.
      2 vectors produced by pass243 Test12= 6.57D-13 2.78D-09 XBig12= 1.42D-13 7.69D-09.
      2 vectors produced by pass244 Test12= 6.57D-13 2.78D-09 XBig12= 3.93D-14 4.84D-09.
      2 vectors produced by pass245 Test12= 6.57D-13 2.78D-09 XBig12= 5.03D-14 4.68D-09.
      2 vectors produced by pass246 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 3.74D-09.
      2 vectors produced by pass247 Test12= 6.57D-13 2.78D-09 XBig12= 3.88D-14 4.47D-09.
      2 vectors produced by pass248 Test12= 6.57D-13 2.78D-09 XBig12= 3.79D-14 4.03D-09.
      2 vectors produced by pass249 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 3.78D-09.
      2 vectors produced by pass250 Test12= 6.57D-13 2.78D-09 XBig12= 3.51D-14 4.01D-09.
      2 vectors produced by pass251 Test12= 6.57D-13 2.78D-09 XBig12= 3.81D-14 4.28D-09.
      2 vectors produced by pass252 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.81D-09.
      2 vectors produced by pass253 Test12= 6.57D-13 2.78D-09 XBig12= 3.24D-14 3.46D-09.
      2 vectors produced by pass254 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 4.16D-09.
      2 vectors produced by pass255 Test12= 6.57D-13 2.78D-09 XBig12= 3.25D-14 3.58D-09.
      2 vectors produced by pass256 Test12= 6.57D-13 2.78D-09 XBig12= 3.18D-14 4.05D-09.
      2 vectors produced by pass257 Test12= 6.57D-13 2.78D-09 XBig12= 3.54D-14 3.94D-09.
      2 vectors produced by pass258 Test12= 6.57D-13 2.78D-09 XBig12= 3.55D-14 3.87D-09.
      2 vectors produced by pass259 Test12= 6.57D-13 2.78D-09 XBig12= 3.40D-14 3.82D-09.
      2 vectors produced by pass260 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.72D-09.
      2 vectors produced by pass261 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 4.04D-09.
      2 vectors produced by pass262 Test12= 6.57D-13 2.78D-09 XBig12= 3.50D-14 4.37D-09.
      2 vectors produced by pass263 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.73D-09.
      2 vectors produced by pass264 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 3.70D-09.
      2 vectors produced by pass265 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.56D-09.
      2 vectors produced by pass266 Test12= 6.57D-13 2.78D-09 XBig12= 3.52D-14 3.53D-09.
      2 vectors produced by pass267 Test12= 6.57D-13 2.78D-09 XBig12= 3.25D-14 3.91D-09.
      2 vectors produced by pass268 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 3.50D-09.
      2 vectors produced by pass269 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 4.15D-09.
      2 vectors produced by pass270 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 4.19D-09.
      2 vectors produced by pass271 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.83D-09.
      2 vectors produced by pass272 Test12= 6.57D-13 2.78D-09 XBig12= 3.07D-14 3.34D-09.
      2 vectors produced by pass273 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.53D-09.
      2 vectors produced by pass274 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.70D-09.
      2 vectors produced by pass275 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.62D-09.
      2 vectors produced by pass276 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.49D-09.
      2 vectors produced by pass277 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.56D-09.
      2 vectors produced by pass278 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 4.02D-09.
      2 vectors produced by pass279 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 4.67D-09.
      2 vectors produced by pass280 Test12= 6.57D-13 2.78D-09 XBig12= 3.39D-14 3.77D-09.
      2 vectors produced by pass281 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.67D-09.
      2 vectors produced by pass282 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 3.53D-09.
      2 vectors produced by pass283 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.41D-09.
      2 vectors produced by pass284 Test12= 6.57D-13 2.78D-09 XBig12= 3.39D-14 3.65D-09.
      2 vectors produced by pass285 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.84D-09.
      2 vectors produced by pass286 Test12= 6.57D-13 2.78D-09 XBig12= 2.99D-14 3.63D-09.
      2 vectors produced by pass287 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.97D-09.
      2 vectors produced by pass288 Test12= 6.57D-13 2.78D-09 XBig12= 2.92D-14 3.48D-09.
      2 vectors produced by pass289 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.33D-09.
      2 vectors produced by pass290 Test12= 6.57D-13 2.78D-09 XBig12= 3.29D-14 4.39D-09.
      2 vectors produced by pass291 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.33D-09.
      2 vectors produced by pass292 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 4.21D-09.
      2 vectors produced by pass293 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 3.44D-09.
      2 vectors produced by pass294 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.50D-09.
      2 vectors produced by pass295 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.31D-09.
      2 vectors produced by pass296 Test12= 6.57D-13 2.78D-09 XBig12= 2.99D-14 4.03D-09.
      2 vectors produced by pass297 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 4.77D-09.
      2 vectors produced by pass298 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.45D-09.
      2 vectors produced by pass299 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.17D-09.
      2 vectors produced by pass300 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.63D-09.
      2 vectors produced by pass301 Test12= 6.57D-13 2.78D-09 XBig12= 2.92D-14 3.65D-09.
      2 vectors produced by pass302 Test12= 6.57D-13 2.78D-09 XBig12= 3.06D-14 3.38D-09.
      2 vectors produced by pass303 Test12= 6.57D-13 2.78D-09 XBig12= 2.83D-14 3.42D-09.
      2 vectors produced by pass304 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.42D-09.
      2 vectors produced by pass305 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.68D-09.
      2 vectors produced by pass306 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.51D-09.
      2 vectors produced by pass307 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.72D-09.
      2 vectors produced by pass308 Test12= 6.57D-13 2.78D-09 XBig12= 2.73D-14 3.22D-09.
      2 vectors produced by pass309 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.75D-09.
      2 vectors produced by pass310 Test12= 6.57D-13 2.78D-09 XBig12= 2.69D-14 3.28D-09.
      2 vectors produced by pass311 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.92D-09.
      2 vectors produced by pass312 Test12= 6.57D-13 2.78D-09 XBig12= 2.69D-14 3.69D-09.
      2 vectors produced by pass313 Test12= 6.57D-13 2.78D-09 XBig12= 2.69D-14 3.35D-09.
      2 vectors produced by pass314 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.83D-09.
      2 vectors produced by pass315 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 3.31D-09.
      2 vectors produced by pass316 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.56D-09.
      2 vectors produced by pass317 Test12= 6.57D-13 2.78D-09 XBig12= 2.74D-14 3.61D-09.
      2 vectors produced by pass318 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.72D-09.
      2 vectors produced by pass319 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.29D-09.
      2 vectors produced by pass320 Test12= 6.57D-13 2.78D-09 XBig12= 2.68D-14 3.58D-09.
      2 vectors produced by pass321 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.31D-09.
      2 vectors produced by pass322 Test12= 6.57D-13 2.78D-09 XBig12= 2.61D-14 3.47D-09.
      2 vectors produced by pass323 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.51D-09.
      2 vectors produced by pass324 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.58D-09.
      2 vectors produced by pass325 Test12= 6.57D-13 2.78D-09 XBig12= 2.59D-14 3.31D-09.
      2 vectors produced by pass326 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.52D-09.
      2 vectors produced by pass327 Test12= 6.57D-13 2.78D-09 XBig12= 2.52D-14 3.39D-09.
      2 vectors produced by pass328 Test12= 6.57D-13 2.78D-09 XBig12= 2.81D-14 4.62D-09.
      2 vectors produced by pass329 Test12= 6.57D-13 2.78D-09 XBig12= 2.81D-14 3.73D-09.
      2 vectors produced by pass330 Test12= 6.57D-13 2.78D-09 XBig12= 2.78D-14 3.65D-09.
      2 vectors produced by pass331 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.63D-09.
      2 vectors produced by pass332 Test12= 6.57D-13 2.78D-09 XBig12= 2.62D-14 3.19D-09.
      1 vectors produced by pass333 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 4.03D-09.
      1 vectors produced by pass334 Test12= 6.57D-13 2.78D-09 XBig12= 3.69D-14 3.96D-09.
      1 vectors produced by pass335 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 4.05D-09.
      1 vectors produced by pass336 Test12= 6.57D-13 2.78D-09 XBig12= 3.82D-14 3.74D-09.
      1 vectors produced by pass337 Test12= 6.57D-13 2.78D-09 XBig12= 3.75D-14 4.50D-09.
      1 vectors produced by pass338 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.88D-09.
      1 vectors produced by pass339 Test12= 6.57D-13 2.78D-09 XBig12= 3.67D-14 3.67D-09.
      1 vectors produced by pass340 Test12= 6.57D-13 2.78D-09 XBig12= 4.13D-14 4.16D-09.
      1 vectors produced by pass341 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 3.56D-09.
      1 vectors produced by pass342 Test12= 6.57D-13 2.78D-09 XBig12= 3.78D-14 3.87D-09.
      1 vectors produced by pass343 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.63D-09.
      1 vectors produced by pass344 Test12= 6.57D-13 2.78D-09 XBig12= 3.97D-14 3.78D-09.
      1 vectors produced by pass345 Test12= 6.57D-13 2.78D-09 XBig12= 3.86D-14 4.81D-09.
      1 vectors produced by pass346 Test12= 6.57D-13 2.78D-09 XBig12= 3.55D-14 4.21D-09.
      1 vectors produced by pass347 Test12= 6.57D-13 2.78D-09 XBig12= 3.75D-14 3.89D-09.
      1 vectors produced by pass348 Test12= 6.57D-13 2.78D-09 XBig12= 3.82D-14 4.36D-09.
      1 vectors produced by pass349 Test12= 6.57D-13 2.78D-09 XBig12= 3.89D-14 3.82D-09.
      1 vectors produced by pass350 Test12= 6.57D-13 2.78D-09 XBig12= 3.76D-14 3.77D-09.
      1 vectors produced by pass351 Test12= 6.57D-13 2.78D-09 XBig12= 3.82D-14 3.86D-09.
      1 vectors produced by pass352 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.44D-09.
      1 vectors produced by pass353 Test12= 6.57D-13 2.78D-09 XBig12= 3.64D-14 3.60D-09.
      1 vectors produced by pass354 Test12= 6.57D-13 2.78D-09 XBig12= 3.84D-14 4.23D-09.
      1 vectors produced by pass355 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 3.69D-09.
      1 vectors produced by pass356 Test12= 6.57D-13 2.78D-09 XBig12= 3.73D-14 3.61D-09.
      1 vectors produced by pass357 Test12= 6.57D-13 2.78D-09 XBig12= 3.85D-14 3.79D-09.
      1 vectors produced by pass358 Test12= 6.57D-13 2.78D-09 XBig12= 3.61D-14 3.74D-09.
      1 vectors produced by pass359 Test12= 6.57D-13 2.78D-09 XBig12= 3.64D-14 4.13D-09.
      1 vectors produced by pass360 Test12= 6.57D-13 2.78D-09 XBig12= 3.20D-14 3.69D-09.
      1 vectors produced by pass361 Test12= 6.57D-13 2.78D-09 XBig12= 3.62D-14 3.42D-09.
      1 vectors produced by pass362 Test12= 6.57D-13 2.78D-09 XBig12= 3.78D-14 4.11D-09.
      1 vectors produced by pass363 Test12= 6.57D-13 2.78D-09 XBig12= 3.49D-14 4.18D-09.
      1 vectors produced by pass364 Test12= 6.57D-13 2.78D-09 XBig12= 3.76D-14 3.86D-09.
      1 vectors produced by pass365 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-14 3.55D-09.
      1 vectors produced by pass366 Test12= 6.57D-13 2.78D-09 XBig12= 3.61D-14 3.77D-09.
      1 vectors produced by pass367 Test12= 6.57D-13 2.78D-09 XBig12= 3.73D-14 4.39D-09.
      1 vectors produced by pass368 Test12= 6.57D-13 2.78D-09 XBig12= 3.57D-14 3.73D-09.
      1 vectors produced by pass369 Test12= 6.57D-13 2.78D-09 XBig12= 3.76D-14 3.73D-09.
      1 vectors produced by pass370 Test12= 6.57D-13 2.78D-09 XBig12= 3.65D-14 4.33D-09.
      1 vectors produced by pass371 Test12= 6.57D-13 2.78D-09 XBig12= 3.62D-14 4.08D-09.
      1 vectors produced by pass372 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 4.16D-09.
      1 vectors produced by pass373 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 4.29D-09.
      1 vectors produced by pass374 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 4.53D-09.
      1 vectors produced by pass375 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 3.52D-09.
      1 vectors produced by pass376 Test12= 6.57D-13 2.78D-09 XBig12= 3.65D-14 4.15D-09.
      1 vectors produced by pass377 Test12= 6.57D-13 2.78D-09 XBig12= 3.38D-14 3.85D-09.
      1 vectors produced by pass378 Test12= 6.57D-13 2.78D-09 XBig12= 3.58D-14 3.68D-09.
      1 vectors produced by pass379 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 4.94D-09.
      1 vectors produced by pass380 Test12= 6.57D-13 2.78D-09 XBig12= 3.43D-14 3.51D-09.
      1 vectors produced by pass381 Test12= 6.57D-13 2.78D-09 XBig12= 3.56D-14 3.69D-09.
      1 vectors produced by pass382 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 4.19D-09.
      1 vectors produced by pass383 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 3.39D-09.
      1 vectors produced by pass384 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 3.94D-09.
      1 vectors produced by pass385 Test12= 6.57D-13 2.78D-09 XBig12= 3.43D-14 3.85D-09.
      1 vectors produced by pass386 Test12= 6.57D-13 2.78D-09 XBig12= 3.86D-14 4.17D-09.
      1 vectors produced by pass387 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 4.14D-09.
      1 vectors produced by pass388 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.95D-09.
      1 vectors produced by pass389 Test12= 6.57D-13 2.78D-09 XBig12= 3.49D-14 3.47D-09.
      1 vectors produced by pass390 Test12= 6.57D-13 2.78D-09 XBig12= 3.70D-14 3.41D-09.
      1 vectors produced by pass391 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 3.60D-09.
      1 vectors produced by pass392 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 4.19D-09.
      1 vectors produced by pass393 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 3.94D-09.
      1 vectors produced by pass394 Test12= 6.57D-13 2.78D-09 XBig12= 3.38D-14 3.49D-09.
      1 vectors produced by pass395 Test12= 6.57D-13 2.78D-09 XBig12= 3.75D-14 3.86D-09.
      1 vectors produced by pass396 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 3.55D-09.
      1 vectors produced by pass397 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.32D-09.
      1 vectors produced by pass398 Test12= 6.57D-13 2.78D-09 XBig12= 3.52D-14 3.72D-09.
      1 vectors produced by pass399 Test12= 6.57D-13 2.78D-09 XBig12= 3.62D-14 4.54D-09.
      1 vectors produced by pass400 Test12= 6.57D-13 2.78D-09 XBig12= 3.71D-14 4.75D-09.
      1 vectors produced by pass401 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 3.27D-09.
      1 vectors produced by pass402 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 4.29D-09.
      1 vectors produced by pass403 Test12= 6.57D-13 2.78D-09 XBig12= 3.64D-14 3.89D-09.
      1 vectors produced by pass404 Test12= 6.57D-13 2.78D-09 XBig12= 4.02D-14 4.15D-09.
      1 vectors produced by pass405 Test12= 6.57D-13 2.78D-09 XBig12= 3.41D-14 3.23D-09.
      1 vectors produced by pass406 Test12= 6.57D-13 2.78D-09 XBig12= 3.72D-14 4.02D-09.
      1 vectors produced by pass407 Test12= 6.57D-13 2.78D-09 XBig12= 3.81D-14 3.84D-09.
      1 vectors produced by pass408 Test12= 6.57D-13 2.78D-09 XBig12= 3.77D-14 4.67D-09.
      1 vectors produced by pass409 Test12= 6.57D-13 2.78D-09 XBig12= 3.51D-14 3.43D-09.
      1 vectors produced by pass410 Test12= 6.57D-13 2.78D-09 XBig12= 3.60D-14 3.66D-09.
      1 vectors produced by pass411 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.18D-09.
      1 vectors produced by pass412 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 3.58D-09.
      1 vectors produced by pass413 Test12= 6.57D-13 2.78D-09 XBig12= 3.81D-14 3.64D-09.
      1 vectors produced by pass414 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 3.67D-09.
      1 vectors produced by pass415 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.87D-09.
      1 vectors produced by pass416 Test12= 6.57D-13 2.78D-09 XBig12= 3.66D-14 3.47D-09.
      1 vectors produced by pass417 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.48D-09.
      1 vectors produced by pass418 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.26D-09.
      1 vectors produced by pass419 Test12= 6.57D-13 2.78D-09 XBig12= 3.67D-14 3.94D-09.
      1 vectors produced by pass420 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 4.41D-09.
      1 vectors produced by pass421 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 3.16D-09.
      1 vectors produced by pass422 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.71D-09.
      1 vectors produced by pass423 Test12= 6.57D-13 2.78D-09 XBig12= 3.29D-14 3.20D-09.
      1 vectors produced by pass424 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 4.01D-09.
      1 vectors produced by pass425 Test12= 6.57D-13 2.78D-09 XBig12= 3.54D-14 3.24D-09.
      1 vectors produced by pass426 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.62D-09.
      1 vectors produced by pass427 Test12= 6.57D-13 2.78D-09 XBig12= 3.56D-14 3.35D-09.
      1 vectors produced by pass428 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 3.70D-09.
      1 vectors produced by pass429 Test12= 6.57D-13 2.78D-09 XBig12= 3.69D-14 5.52D-09.
      1 vectors produced by pass430 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.78D-09.
      1 vectors produced by pass431 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 3.15D-09.
      1 vectors produced by pass432 Test12= 6.57D-13 2.78D-09 XBig12= 3.63D-14 3.87D-09.
      1 vectors produced by pass433 Test12= 6.57D-13 2.78D-09 XBig12= 3.55D-14 4.48D-09.
      1 vectors produced by pass434 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 3.83D-09.
      1 vectors produced by pass435 Test12= 6.57D-13 2.78D-09 XBig12= 3.75D-14 3.97D-09.
      1 vectors produced by pass436 Test12= 6.57D-13 2.78D-09 XBig12= 3.41D-14 3.91D-09.
      1 vectors produced by pass437 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 3.99D-09.
      1 vectors produced by pass438 Test12= 6.57D-13 2.78D-09 XBig12= 3.80D-14 3.52D-09.
      1 vectors produced by pass439 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.85D-09.
      1 vectors produced by pass440 Test12= 6.57D-13 2.78D-09 XBig12= 3.62D-14 4.00D-09.
      1 vectors produced by pass441 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 3.55D-09.
      1 vectors produced by pass442 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 4.02D-09.
      1 vectors produced by pass443 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-14 3.68D-09.
      1 vectors produced by pass444 Test12= 6.57D-13 2.78D-09 XBig12= 3.43D-14 4.04D-09.
      1 vectors produced by pass445 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.75D-09.
      1 vectors produced by pass446 Test12= 6.57D-13 2.78D-09 XBig12= 3.26D-14 3.63D-09.
      1 vectors produced by pass447 Test12= 6.57D-13 2.78D-09 XBig12= 3.41D-14 3.51D-09.
      1 vectors produced by pass448 Test12= 6.57D-13 2.78D-09 XBig12= 3.69D-14 4.05D-09.
      1 vectors produced by pass449 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.25D-09.
      1 vectors produced by pass450 Test12= 6.57D-13 2.78D-09 XBig12= 3.64D-14 4.30D-09.
      1 vectors produced by pass451 Test12= 6.57D-13 2.78D-09 XBig12= 3.31D-14 3.53D-09.
      1 vectors produced by pass452 Test12= 6.57D-13 2.78D-09 XBig12= 3.22D-14 3.66D-09.
      1 vectors produced by pass453 Test12= 6.57D-13 2.78D-09 XBig12= 3.23D-14 3.22D-09.
      1 vectors produced by pass454 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 3.76D-09.
      1 vectors produced by pass455 Test12= 6.57D-13 2.78D-09 XBig12= 3.43D-14 3.43D-09.
      1 vectors produced by pass456 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 4.39D-09.
      1 vectors produced by pass457 Test12= 6.57D-13 2.78D-09 XBig12= 3.52D-14 3.88D-09.
      1 vectors produced by pass458 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 3.55D-09.
      1 vectors produced by pass459 Test12= 6.57D-13 2.78D-09 XBig12= 3.52D-14 3.72D-09.
      1 vectors produced by pass460 Test12= 6.57D-13 2.78D-09 XBig12= 3.22D-14 4.10D-09.
      1 vectors produced by pass461 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 4.49D-09.
      1 vectors produced by pass462 Test12= 6.57D-13 2.78D-09 XBig12= 3.25D-14 3.53D-09.
      1 vectors produced by pass463 Test12= 6.57D-13 2.78D-09 XBig12= 3.40D-14 3.66D-09.
      1 vectors produced by pass464 Test12= 6.57D-13 2.78D-09 XBig12= 3.26D-14 3.68D-09.
      1 vectors produced by pass465 Test12= 6.57D-13 2.78D-09 XBig12= 3.53D-14 3.56D-09.
      1 vectors produced by pass466 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 3.92D-09.
      1 vectors produced by pass467 Test12= 6.57D-13 2.78D-09 XBig12= 3.55D-14 3.51D-09.
      1 vectors produced by pass468 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.67D-09.
      1 vectors produced by pass469 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 3.77D-09.
      1 vectors produced by pass470 Test12= 6.57D-13 2.78D-09 XBig12= 3.17D-14 3.28D-09.
      1 vectors produced by pass471 Test12= 6.57D-13 2.78D-09 XBig12= 3.44D-14 3.25D-09.
      1 vectors produced by pass472 Test12= 6.57D-13 2.78D-09 XBig12= 3.14D-14 3.75D-09.
      1 vectors produced by pass473 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 3.96D-09.
      1 vectors produced by pass474 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 3.20D-09.
      1 vectors produced by pass475 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.80D-09.
      1 vectors produced by pass476 Test12= 6.57D-13 2.78D-09 XBig12= 3.43D-14 3.78D-09.
      1 vectors produced by pass477 Test12= 6.57D-13 2.78D-09 XBig12= 3.25D-14 3.69D-09.
      1 vectors produced by pass478 Test12= 6.57D-13 2.78D-09 XBig12= 3.31D-14 3.15D-09.
      1 vectors produced by pass479 Test12= 6.57D-13 2.78D-09 XBig12= 3.18D-14 3.35D-09.
      1 vectors produced by pass480 Test12= 6.57D-13 2.78D-09 XBig12= 3.18D-14 3.50D-09.
      1 vectors produced by pass481 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 4.15D-09.
      1 vectors produced by pass482 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.45D-09.
      1 vectors produced by pass483 Test12= 6.57D-13 2.78D-09 XBig12= 3.24D-14 3.74D-09.
      1 vectors produced by pass484 Test12= 6.57D-13 2.78D-09 XBig12= 3.23D-14 3.68D-09.
      1 vectors produced by pass485 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.41D-09.
      1 vectors produced by pass486 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.78D-09.
      1 vectors produced by pass487 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 3.36D-09.
      1 vectors produced by pass488 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 3.35D-09.
      1 vectors produced by pass489 Test12= 6.57D-13 2.78D-09 XBig12= 3.38D-14 4.09D-09.
      1 vectors produced by pass490 Test12= 6.57D-13 2.78D-09 XBig12= 3.07D-14 3.84D-09.
      1 vectors produced by pass491 Test12= 6.57D-13 2.78D-09 XBig12= 3.52D-14 3.46D-09.
      1 vectors produced by pass492 Test12= 6.57D-13 2.78D-09 XBig12= 3.20D-14 3.54D-09.
      1 vectors produced by pass493 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 4.04D-09.
      1 vectors produced by pass494 Test12= 6.57D-13 2.78D-09 XBig12= 3.62D-14 3.81D-09.
      1 vectors produced by pass495 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 3.48D-09.
      1 vectors produced by pass496 Test12= 6.57D-13 2.78D-09 XBig12= 3.47D-14 3.61D-09.
      1 vectors produced by pass497 Test12= 6.57D-13 2.78D-09 XBig12= 3.32D-14 4.36D-09.
      1 vectors produced by pass498 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.44D-09.
      1 vectors produced by pass499 Test12= 6.57D-13 2.78D-09 XBig12= 3.29D-14 3.49D-09.
      1 vectors produced by pass500 Test12= 6.57D-13 2.78D-09 XBig12= 3.23D-14 4.09D-09.
      1 vectors produced by pass501 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.75D-09.
      1 vectors produced by pass502 Test12= 6.57D-13 2.78D-09 XBig12= 3.27D-14 3.54D-09.
      1 vectors produced by pass503 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 3.34D-09.
      1 vectors produced by pass504 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 2.96D-09.
      1 vectors produced by pass505 Test12= 6.57D-13 2.78D-09 XBig12= 3.29D-14 3.62D-09.
      1 vectors produced by pass506 Test12= 6.57D-13 2.78D-09 XBig12= 3.23D-14 3.59D-09.
      1 vectors produced by pass507 Test12= 6.57D-13 2.78D-09 XBig12= 3.27D-14 3.71D-09.
      1 vectors produced by pass508 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 3.73D-09.
      1 vectors produced by pass509 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 3.57D-09.
      1 vectors produced by pass510 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.62D-09.
      1 vectors produced by pass511 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 4.02D-09.
      1 vectors produced by pass512 Test12= 6.57D-13 2.78D-09 XBig12= 3.40D-14 3.46D-09.
      1 vectors produced by pass513 Test12= 6.57D-13 2.78D-09 XBig12= 3.14D-14 3.39D-09.
      1 vectors produced by pass514 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-14 4.16D-09.
      1 vectors produced by pass515 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 3.52D-09.
      1 vectors produced by pass516 Test12= 6.57D-13 2.78D-09 XBig12= 3.08D-14 3.71D-09.
      1 vectors produced by pass517 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.88D-09.
      1 vectors produced by pass518 Test12= 6.57D-13 2.78D-09 XBig12= 3.33D-14 3.54D-09.
      1 vectors produced by pass519 Test12= 6.57D-13 2.78D-09 XBig12= 3.17D-14 3.65D-09.
      1 vectors produced by pass520 Test12= 6.57D-13 2.78D-09 XBig12= 3.17D-14 3.83D-09.
      1 vectors produced by pass521 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.27D-09.
      1 vectors produced by pass522 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.19D-09.
      1 vectors produced by pass523 Test12= 6.57D-13 2.78D-09 XBig12= 3.34D-14 3.66D-09.
      1 vectors produced by pass524 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.61D-09.
      1 vectors produced by pass525 Test12= 6.57D-13 2.78D-09 XBig12= 3.42D-14 3.58D-09.
      1 vectors produced by pass526 Test12= 6.57D-13 2.78D-09 XBig12= 3.31D-14 3.56D-09.
      1 vectors produced by pass527 Test12= 6.57D-13 2.78D-09 XBig12= 3.18D-14 3.89D-09.
      1 vectors produced by pass528 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 4.23D-09.
      1 vectors produced by pass529 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.36D-09.
      1 vectors produced by pass530 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.53D-09.
      1 vectors produced by pass531 Test12= 6.57D-13 2.78D-09 XBig12= 3.24D-14 3.51D-09.
      1 vectors produced by pass532 Test12= 6.57D-13 2.78D-09 XBig12= 3.37D-14 3.35D-09.
      1 vectors produced by pass533 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.76D-09.
      1 vectors produced by pass534 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 3.80D-09.
      1 vectors produced by pass535 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.56D-09.
      1 vectors produced by pass536 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 4.21D-09.
      1 vectors produced by pass537 Test12= 6.57D-13 2.78D-09 XBig12= 3.63D-14 3.43D-09.
      1 vectors produced by pass538 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 4.29D-09.
      1 vectors produced by pass539 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.57D-09.
      1 vectors produced by pass540 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.46D-09.
      1 vectors produced by pass541 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.50D-09.
      1 vectors produced by pass542 Test12= 6.57D-13 2.78D-09 XBig12= 3.50D-14 3.24D-09.
      1 vectors produced by pass543 Test12= 6.57D-13 2.78D-09 XBig12= 2.94D-14 3.30D-09.
      1 vectors produced by pass544 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.35D-09.
      1 vectors produced by pass545 Test12= 6.57D-13 2.78D-09 XBig12= 3.24D-14 3.69D-09.
      1 vectors produced by pass546 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.34D-09.
      1 vectors produced by pass547 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.57D-09.
      1 vectors produced by pass548 Test12= 6.57D-13 2.78D-09 XBig12= 3.28D-14 3.26D-09.
      1 vectors produced by pass549 Test12= 6.57D-13 2.78D-09 XBig12= 3.27D-14 3.09D-09.
      1 vectors produced by pass550 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 4.02D-09.
      1 vectors produced by pass551 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.48D-09.
      1 vectors produced by pass552 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 3.45D-09.
      1 vectors produced by pass553 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 4.11D-09.
      1 vectors produced by pass554 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 3.16D-09.
      1 vectors produced by pass555 Test12= 6.57D-13 2.78D-09 XBig12= 3.35D-14 3.21D-09.
      1 vectors produced by pass556 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.30D-09.
      1 vectors produced by pass557 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.33D-09.
      1 vectors produced by pass558 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.05D-09.
      1 vectors produced by pass559 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.13D-09.
      1 vectors produced by pass560 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.91D-09.
      1 vectors produced by pass561 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.08D-09.
      1 vectors produced by pass562 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.09D-09.
      1 vectors produced by pass563 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.92D-09.
      1 vectors produced by pass564 Test12= 6.57D-13 2.78D-09 XBig12= 3.22D-14 3.29D-09.
      1 vectors produced by pass565 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 3.54D-09.
      1 vectors produced by pass566 Test12= 6.57D-13 2.78D-09 XBig12= 3.45D-14 3.52D-09.
      1 vectors produced by pass567 Test12= 6.57D-13 2.78D-09 XBig12= 3.21D-14 3.57D-09.
      1 vectors produced by pass568 Test12= 6.57D-13 2.78D-09 XBig12= 3.15D-14 3.65D-09.
      1 vectors produced by pass569 Test12= 6.57D-13 2.78D-09 XBig12= 3.46D-14 3.77D-09.
      1 vectors produced by pass570 Test12= 6.57D-13 2.78D-09 XBig12= 3.17D-14 3.42D-09.
      1 vectors produced by pass571 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.60D-09.
      1 vectors produced by pass572 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.10D-09.
      1 vectors produced by pass573 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.89D-09.
      1 vectors produced by pass574 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.86D-09.
      1 vectors produced by pass575 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.14D-09.
      1 vectors produced by pass576 Test12= 6.57D-13 2.78D-09 XBig12= 3.09D-14 2.99D-09.
      1 vectors produced by pass577 Test12= 6.57D-13 2.78D-09 XBig12= 3.36D-14 3.54D-09.
      1 vectors produced by pass578 Test12= 6.57D-13 2.78D-09 XBig12= 3.08D-14 3.69D-09.
      1 vectors produced by pass579 Test12= 6.57D-13 2.78D-09 XBig12= 3.09D-14 3.33D-09.
      1 vectors produced by pass580 Test12= 6.57D-13 2.78D-09 XBig12= 3.20D-14 3.95D-09.
      1 vectors produced by pass581 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.70D-09.
      1 vectors produced by pass582 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.31D-09.
      1 vectors produced by pass583 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 2.91D-09.
      1 vectors produced by pass584 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.61D-09.
      1 vectors produced by pass585 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.59D-09.
      1 vectors produced by pass586 Test12= 6.57D-13 2.78D-09 XBig12= 3.25D-14 3.44D-09.
      1 vectors produced by pass587 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.60D-09.
      1 vectors produced by pass588 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.26D-09.
      1 vectors produced by pass589 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.56D-09.
      1 vectors produced by pass590 Test12= 6.57D-13 2.78D-09 XBig12= 2.93D-14 3.28D-09.
      1 vectors produced by pass591 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 4.13D-09.
      1 vectors produced by pass592 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 3.37D-09.
      1 vectors produced by pass593 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.59D-09.
      1 vectors produced by pass594 Test12= 6.57D-13 2.78D-09 XBig12= 2.94D-14 2.99D-09.
      1 vectors produced by pass595 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.75D-09.
      1 vectors produced by pass596 Test12= 6.57D-13 2.78D-09 XBig12= 3.30D-14 3.80D-09.
      1 vectors produced by pass597 Test12= 6.57D-13 2.78D-09 XBig12= 2.83D-14 4.07D-09.
      1 vectors produced by pass598 Test12= 6.57D-13 2.78D-09 XBig12= 3.32D-14 3.69D-09.
      1 vectors produced by pass599 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 3.34D-09.
      1 vectors produced by pass600 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 4.00D-09.
      1 vectors produced by pass601 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 3.60D-09.
      1 vectors produced by pass602 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 3.17D-09.
      1 vectors produced by pass603 Test12= 6.57D-13 2.78D-09 XBig12= 2.99D-14 3.24D-09.
      1 vectors produced by pass604 Test12= 6.57D-13 2.78D-09 XBig12= 3.27D-14 3.64D-09.
      1 vectors produced by pass605 Test12= 6.57D-13 2.78D-09 XBig12= 3.16D-14 3.26D-09.
      1 vectors produced by pass606 Test12= 6.57D-13 2.78D-09 XBig12= 3.07D-14 3.22D-09.
      1 vectors produced by pass607 Test12= 6.57D-13 2.78D-09 XBig12= 3.07D-14 3.65D-09.
      1 vectors produced by pass608 Test12= 6.57D-13 2.78D-09 XBig12= 3.19D-14 3.60D-09.
      1 vectors produced by pass609 Test12= 6.57D-13 2.78D-09 XBig12= 2.97D-14 3.69D-09.
      1 vectors produced by pass610 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.24D-09.
      1 vectors produced by pass611 Test12= 6.57D-13 2.78D-09 XBig12= 2.94D-14 3.47D-09.
      1 vectors produced by pass612 Test12= 6.57D-13 2.78D-09 XBig12= 3.09D-14 3.90D-09.
      1 vectors produced by pass613 Test12= 6.57D-13 2.78D-09 XBig12= 2.83D-14 3.56D-09.
      1 vectors produced by pass614 Test12= 6.57D-13 2.78D-09 XBig12= 3.12D-14 3.99D-09.
      1 vectors produced by pass615 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.43D-09.
      1 vectors produced by pass616 Test12= 6.57D-13 2.78D-09 XBig12= 3.01D-14 3.50D-09.
      1 vectors produced by pass617 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.12D-09.
      1 vectors produced by pass618 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.43D-09.
      1 vectors produced by pass619 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.29D-09.
      1 vectors produced by pass620 Test12= 6.57D-13 2.78D-09 XBig12= 2.92D-14 3.34D-09.
      1 vectors produced by pass621 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.15D-09.
      1 vectors produced by pass622 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.75D-09.
      1 vectors produced by pass623 Test12= 6.57D-13 2.78D-09 XBig12= 3.14D-14 3.10D-09.
      1 vectors produced by pass624 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.41D-09.
      1 vectors produced by pass625 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.59D-09.
      1 vectors produced by pass626 Test12= 6.57D-13 2.78D-09 XBig12= 3.48D-14 3.84D-09.
      1 vectors produced by pass627 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.21D-09.
      1 vectors produced by pass628 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.27D-09.
      1 vectors produced by pass629 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.54D-09.
      1 vectors produced by pass630 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.41D-09.
      1 vectors produced by pass631 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.45D-09.
      1 vectors produced by pass632 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.38D-09.
      1 vectors produced by pass633 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.35D-09.
      1 vectors produced by pass634 Test12= 6.57D-13 2.78D-09 XBig12= 2.97D-14 3.18D-09.
      1 vectors produced by pass635 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 3.46D-09.
      1 vectors produced by pass636 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.17D-09.
      1 vectors produced by pass637 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 2.96D-09.
      1 vectors produced by pass638 Test12= 6.57D-13 2.78D-09 XBig12= 2.93D-14 3.76D-09.
      1 vectors produced by pass639 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.03D-09.
      1 vectors produced by pass640 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.94D-09.
      1 vectors produced by pass641 Test12= 6.57D-13 2.78D-09 XBig12= 3.22D-14 3.47D-09.
      1 vectors produced by pass642 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.20D-09.
      1 vectors produced by pass643 Test12= 6.57D-13 2.78D-09 XBig12= 3.14D-14 3.41D-09.
      1 vectors produced by pass644 Test12= 6.57D-13 2.78D-09 XBig12= 3.22D-14 3.35D-09.
      1 vectors produced by pass645 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.29D-09.
      1 vectors produced by pass646 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 3.40D-09.
      1 vectors produced by pass647 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.57D-09.
      1 vectors produced by pass648 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.21D-09.
      1 vectors produced by pass649 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.92D-09.
      1 vectors produced by pass650 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.16D-09.
      1 vectors produced by pass651 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.36D-09.
      1 vectors produced by pass652 Test12= 6.57D-13 2.78D-09 XBig12= 3.13D-14 3.96D-09.
      1 vectors produced by pass653 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 2.99D-09.
      1 vectors produced by pass654 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.40D-09.
      1 vectors produced by pass655 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.54D-09.
      1 vectors produced by pass656 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.44D-09.
      1 vectors produced by pass657 Test12= 6.57D-13 2.78D-09 XBig12= 2.94D-14 3.85D-09.
      1 vectors produced by pass658 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.57D-09.
      1 vectors produced by pass659 Test12= 6.57D-13 2.78D-09 XBig12= 3.10D-14 4.23D-09.
      1 vectors produced by pass660 Test12= 6.57D-13 2.78D-09 XBig12= 2.97D-14 3.24D-09.
      1 vectors produced by pass661 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.33D-09.
      1 vectors produced by pass662 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.10D-09.
      1 vectors produced by pass663 Test12= 6.57D-13 2.78D-09 XBig12= 2.71D-14 3.22D-09.
      1 vectors produced by pass664 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.57D-09.
      1 vectors produced by pass665 Test12= 6.57D-13 2.78D-09 XBig12= 3.02D-14 3.06D-09.
      1 vectors produced by pass666 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 3.17D-09.
      1 vectors produced by pass667 Test12= 6.57D-13 2.78D-09 XBig12= 2.99D-14 3.15D-09.
      1 vectors produced by pass668 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.13D-09.
      1 vectors produced by pass669 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.31D-09.
      1 vectors produced by pass670 Test12= 6.57D-13 2.78D-09 XBig12= 2.93D-14 3.23D-09.
      1 vectors produced by pass671 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.28D-09.
      1 vectors produced by pass672 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.26D-09.
      1 vectors produced by pass673 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 3.43D-09.
      1 vectors produced by pass674 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.21D-09.
      1 vectors produced by pass675 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.54D-09.
      1 vectors produced by pass676 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.07D-09.
      1 vectors produced by pass677 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.20D-09.
      1 vectors produced by pass678 Test12= 6.57D-13 2.78D-09 XBig12= 2.94D-14 3.65D-09.
      1 vectors produced by pass679 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.85D-09.
      1 vectors produced by pass680 Test12= 6.57D-13 2.78D-09 XBig12= 2.80D-14 3.22D-09.
      1 vectors produced by pass681 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.41D-09.
      1 vectors produced by pass682 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.10D-09.
      1 vectors produced by pass683 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.02D-09.
      1 vectors produced by pass684 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.07D-09.
      1 vectors produced by pass685 Test12= 6.57D-13 2.78D-09 XBig12= 2.97D-14 3.37D-09.
      1 vectors produced by pass686 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.05D-09.
      1 vectors produced by pass687 Test12= 6.57D-13 2.78D-09 XBig12= 3.00D-14 4.10D-09.
      1 vectors produced by pass688 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.85D-09.
      1 vectors produced by pass689 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.09D-09.
      1 vectors produced by pass690 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.35D-09.
      1 vectors produced by pass691 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.00D-09.
      1 vectors produced by pass692 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.77D-09.
      1 vectors produced by pass693 Test12= 6.57D-13 2.78D-09 XBig12= 3.11D-14 3.36D-09.
      1 vectors produced by pass694 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.44D-09.
      1 vectors produced by pass695 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 3.21D-09.
      1 vectors produced by pass696 Test12= 6.57D-13 2.78D-09 XBig12= 2.80D-14 2.79D-09.
      1 vectors produced by pass697 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.18D-09.
      1 vectors produced by pass698 Test12= 6.57D-13 2.78D-09 XBig12= 2.76D-14 3.22D-09.
      1 vectors produced by pass699 Test12= 6.57D-13 2.78D-09 XBig12= 2.83D-14 2.93D-09.
      1 vectors produced by pass700 Test12= 6.57D-13 2.78D-09 XBig12= 3.05D-14 3.51D-09.
      1 vectors produced by pass701 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.22D-09.
      1 vectors produced by pass702 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.13D-09.
      1 vectors produced by pass703 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.43D-09.
      1 vectors produced by pass704 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.13D-09.
      1 vectors produced by pass705 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 2.91D-09.
      1 vectors produced by pass706 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.01D-09.
      1 vectors produced by pass707 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.67D-09.
      1 vectors produced by pass708 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.25D-09.
      1 vectors produced by pass709 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.40D-09.
      1 vectors produced by pass710 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.23D-09.
      1 vectors produced by pass711 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.17D-09.
      1 vectors produced by pass712 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.32D-09.
      1 vectors produced by pass713 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.03D-09.
      1 vectors produced by pass714 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.53D-09.
      1 vectors produced by pass715 Test12= 6.57D-13 2.78D-09 XBig12= 2.97D-14 4.15D-09.
      1 vectors produced by pass716 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 3.30D-09.
      1 vectors produced by pass717 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 2.94D-09.
      1 vectors produced by pass718 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 2.99D-09.
      1 vectors produced by pass719 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.21D-09.
      1 vectors produced by pass720 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.00D-09.
      1 vectors produced by pass721 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.77D-09.
      1 vectors produced by pass722 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.35D-09.
      1 vectors produced by pass723 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 3.04D-09.
      1 vectors produced by pass724 Test12= 6.57D-13 2.78D-09 XBig12= 2.81D-14 3.35D-09.
      1 vectors produced by pass725 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 3.30D-09.
      1 vectors produced by pass726 Test12= 6.57D-13 2.78D-09 XBig12= 2.81D-14 3.29D-09.
      1 vectors produced by pass727 Test12= 6.57D-13 2.78D-09 XBig12= 2.78D-14 3.34D-09.
      1 vectors produced by pass728 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 2.90D-09.
      1 vectors produced by pass729 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.42D-09.
      1 vectors produced by pass730 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.42D-09.
      1 vectors produced by pass731 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.61D-09.
      1 vectors produced by pass732 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.44D-09.
      1 vectors produced by pass733 Test12= 6.57D-13 2.78D-09 XBig12= 2.76D-14 2.90D-09.
      1 vectors produced by pass734 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 3.81D-09.
      1 vectors produced by pass735 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.33D-09.
      1 vectors produced by pass736 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.36D-09.
      1 vectors produced by pass737 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.22D-09.
      1 vectors produced by pass738 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.20D-09.
      1 vectors produced by pass739 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.93D-09.
      1 vectors produced by pass740 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.32D-09.
      1 vectors produced by pass741 Test12= 6.57D-13 2.78D-09 XBig12= 2.80D-14 3.13D-09.
      1 vectors produced by pass742 Test12= 6.57D-13 2.78D-09 XBig12= 2.90D-14 3.14D-09.
      1 vectors produced by pass743 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.34D-09.
      1 vectors produced by pass744 Test12= 6.57D-13 2.78D-09 XBig12= 2.98D-14 3.13D-09.
      1 vectors produced by pass745 Test12= 6.57D-13 2.78D-09 XBig12= 2.74D-14 3.11D-09.
      1 vectors produced by pass746 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.30D-09.
      1 vectors produced by pass747 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.14D-09.
      1 vectors produced by pass748 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 3.50D-09.
      1 vectors produced by pass749 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 2.94D-09.
      1 vectors produced by pass750 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.07D-09.
      1 vectors produced by pass751 Test12= 6.57D-13 2.78D-09 XBig12= 3.03D-14 3.40D-09.
      1 vectors produced by pass752 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.47D-09.
      1 vectors produced by pass753 Test12= 6.57D-13 2.78D-09 XBig12= 3.04D-14 3.52D-09.
      1 vectors produced by pass754 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.15D-09.
      1 vectors produced by pass755 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.66D-09.
      1 vectors produced by pass756 Test12= 6.57D-13 2.78D-09 XBig12= 2.78D-14 3.18D-09.
      1 vectors produced by pass757 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 2.91D-09.
      1 vectors produced by pass758 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.30D-09.
      1 vectors produced by pass759 Test12= 6.57D-13 2.78D-09 XBig12= 2.60D-14 3.64D-09.
      1 vectors produced by pass760 Test12= 6.57D-13 2.78D-09 XBig12= 2.54D-14 3.01D-09.
      1 vectors produced by pass761 Test12= 6.57D-13 2.78D-09 XBig12= 2.85D-14 3.05D-09.
      1 vectors produced by pass762 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 2.98D-09.
      1 vectors produced by pass763 Test12= 6.57D-13 2.78D-09 XBig12= 2.80D-14 3.02D-09.
      1 vectors produced by pass764 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 2.96D-09.
      1 vectors produced by pass765 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.03D-09.
      1 vectors produced by pass766 Test12= 6.57D-13 2.78D-09 XBig12= 2.89D-14 3.70D-09.
      1 vectors produced by pass767 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 3.23D-09.
      1 vectors produced by pass768 Test12= 6.57D-13 2.78D-09 XBig12= 2.91D-14 2.89D-09.
      1 vectors produced by pass769 Test12= 6.57D-13 2.78D-09 XBig12= 2.70D-14 3.50D-09.
      1 vectors produced by pass770 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.41D-09.
      1 vectors produced by pass771 Test12= 6.57D-13 2.78D-09 XBig12= 2.65D-14 3.13D-09.
      1 vectors produced by pass772 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.77D-09.
      1 vectors produced by pass773 Test12= 6.57D-13 2.78D-09 XBig12= 2.65D-14 3.30D-09.
      1 vectors produced by pass774 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.56D-09.
      1 vectors produced by pass775 Test12= 6.57D-13 2.78D-09 XBig12= 2.70D-14 3.06D-09.
      1 vectors produced by pass776 Test12= 6.57D-13 2.78D-09 XBig12= 2.80D-14 3.30D-09.
      1 vectors produced by pass777 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.33D-09.
      1 vectors produced by pass778 Test12= 6.57D-13 2.78D-09 XBig12= 2.76D-14 3.09D-09.
      1 vectors produced by pass779 Test12= 6.57D-13 2.78D-09 XBig12= 2.65D-14 2.95D-09.
      1 vectors produced by pass780 Test12= 6.57D-13 2.78D-09 XBig12= 2.58D-14 2.92D-09.
      1 vectors produced by pass781 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.24D-09.
      1 vectors produced by pass782 Test12= 6.57D-13 2.78D-09 XBig12= 3.01D-14 3.08D-09.
      1 vectors produced by pass783 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.51D-09.
      1 vectors produced by pass784 Test12= 6.57D-13 2.78D-09 XBig12= 2.82D-14 3.44D-09.
      1 vectors produced by pass785 Test12= 6.57D-13 2.78D-09 XBig12= 2.57D-14 2.90D-09.
      1 vectors produced by pass786 Test12= 6.57D-13 2.78D-09 XBig12= 2.61D-14 2.85D-09.
      1 vectors produced by pass787 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 2.93D-09.
      1 vectors produced by pass788 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.32D-09.
      1 vectors produced by pass789 Test12= 6.57D-13 2.78D-09 XBig12= 2.54D-14 3.17D-09.
      1 vectors produced by pass790 Test12= 6.57D-13 2.78D-09 XBig12= 2.73D-14 2.88D-09.
      1 vectors produced by pass791 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.05D-09.
      1 vectors produced by pass792 Test12= 6.57D-13 2.78D-09 XBig12= 2.62D-14 2.82D-09.
      1 vectors produced by pass793 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.24D-09.
      1 vectors produced by pass794 Test12= 6.57D-13 2.78D-09 XBig12= 2.76D-14 3.49D-09.
      1 vectors produced by pass795 Test12= 6.57D-13 2.78D-09 XBig12= 2.55D-14 3.01D-09.
      1 vectors produced by pass796 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 2.88D-09.
      1 vectors produced by pass797 Test12= 6.57D-13 2.78D-09 XBig12= 2.70D-14 3.59D-09.
      1 vectors produced by pass798 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.28D-09.
      1 vectors produced by pass799 Test12= 6.57D-13 2.78D-09 XBig12= 2.95D-14 4.13D-09.
      1 vectors produced by pass800 Test12= 6.57D-13 2.78D-09 XBig12= 2.68D-14 2.88D-09.
      1 vectors produced by pass801 Test12= 6.57D-13 2.78D-09 XBig12= 2.56D-14 2.98D-09.
      1 vectors produced by pass802 Test12= 6.57D-13 2.78D-09 XBig12= 2.49D-14 2.87D-09.
      1 vectors produced by pass803 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.62D-09.
      1 vectors produced by pass804 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.30D-09.
      1 vectors produced by pass805 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 3.52D-09.
      1 vectors produced by pass806 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.91D-09.
      1 vectors produced by pass807 Test12= 6.57D-13 2.78D-09 XBig12= 2.67D-14 2.84D-09.
      1 vectors produced by pass808 Test12= 6.57D-13 2.78D-09 XBig12= 2.63D-14 2.96D-09.
      1 vectors produced by pass809 Test12= 6.57D-13 2.78D-09 XBig12= 2.67D-14 3.18D-09.
      1 vectors produced by pass810 Test12= 6.57D-13 2.78D-09 XBig12= 2.96D-14 3.38D-09.
      1 vectors produced by pass811 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 2.96D-09.
      1 vectors produced by pass812 Test12= 6.57D-13 2.78D-09 XBig12= 2.74D-14 3.05D-09.
      1 vectors produced by pass813 Test12= 6.57D-13 2.78D-09 XBig12= 2.72D-14 3.39D-09.
      1 vectors produced by pass814 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.28D-09.
      1 vectors produced by pass815 Test12= 6.57D-13 2.78D-09 XBig12= 2.76D-14 3.10D-09.
      1 vectors produced by pass816 Test12= 6.57D-13 2.78D-09 XBig12= 2.93D-14 3.39D-09.
      1 vectors produced by pass817 Test12= 6.57D-13 2.78D-09 XBig12= 2.87D-14 3.30D-09.
      1 vectors produced by pass818 Test12= 6.57D-13 2.78D-09 XBig12= 2.61D-14 3.46D-09.
      1 vectors produced by pass819 Test12= 6.57D-13 2.78D-09 XBig12= 2.86D-14 3.19D-09.
      1 vectors produced by pass820 Test12= 6.57D-13 2.78D-09 XBig12= 2.49D-14 2.85D-09.
      1 vectors produced by pass821 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.09D-09.
      1 vectors produced by pass822 Test12= 6.57D-13 2.78D-09 XBig12= 2.62D-14 2.80D-09.
      1 vectors produced by pass823 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 2.86D-09.
      1 vectors produced by pass824 Test12= 6.57D-13 2.78D-09 XBig12= 2.74D-14 3.69D-09.
      1 vectors produced by pass825 Test12= 6.57D-13 2.78D-09 XBig12= 2.56D-14 2.96D-09.
      1 vectors produced by pass826 Test12= 6.57D-13 2.78D-09 XBig12= 2.71D-14 3.10D-09.
      1 vectors produced by pass827 Test12= 6.57D-13 2.78D-09 XBig12= 2.54D-14 2.97D-09.
      1 vectors produced by pass828 Test12= 6.57D-13 2.78D-09 XBig12= 2.65D-14 3.45D-09.
      1 vectors produced by pass829 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 3.12D-09.
      1 vectors produced by pass830 Test12= 6.57D-13 2.78D-09 XBig12= 2.69D-14 2.86D-09.
      1 vectors produced by pass831 Test12= 6.57D-13 2.78D-09 XBig12= 2.54D-14 3.04D-09.
      1 vectors produced by pass832 Test12= 6.57D-13 2.78D-09 XBig12= 2.77D-14 3.15D-09.
      1 vectors produced by pass833 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.05D-09.
      1 vectors produced by pass834 Test12= 6.57D-13 2.78D-09 XBig12= 2.52D-14 3.42D-09.
      1 vectors produced by pass835 Test12= 6.57D-13 2.78D-09 XBig12= 2.66D-14 3.41D-09.
      1 vectors produced by pass836 Test12= 6.57D-13 2.78D-09 XBig12= 2.65D-14 3.30D-09.
      1 vectors produced by pass837 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.18D-09.
      1 vectors produced by pass838 Test12= 6.57D-13 2.78D-09 XBig12= 2.64D-14 3.62D-09.
      1 vectors produced by pass839 Test12= 6.57D-13 2.78D-09 XBig12= 2.69D-14 2.85D-09.
      1 vectors produced by pass840 Test12= 6.57D-13 2.78D-09 XBig12= 2.62D-14 3.60D-09.
      1 vectors produced by pass841 Test12= 6.57D-13 2.78D-09 XBig12= 2.81D-14 3.37D-09.
      1 vectors produced by pass842 Test12= 6.57D-13 2.78D-09 XBig12= 2.60D-14 3.09D-09.
      1 vectors produced by pass843 Test12= 6.57D-13 2.78D-09 XBig12= 2.54D-14 2.97D-09.
      1 vectors produced by pass844 Test12= 6.57D-13 2.78D-09 XBig12= 2.62D-14 3.12D-09.
      1 vectors produced by pass845 Test12= 6.57D-13 2.78D-09 XBig12= 2.51D-14 2.79D-09.
      1 vectors produced by pass846 Test12= 6.57D-13 2.78D-09 XBig12= 2.60D-14 3.21D-09.
      1 vectors produced by pass847 Test12= 6.57D-13 2.78D-09 XBig12= 2.50D-14 3.06D-09.
      1 vectors produced by pass848 Test12= 6.57D-13 2.78D-09 XBig12= 2.88D-14 3.08D-09.
      1 vectors produced by pass849 Test12= 6.57D-13 2.78D-09 XBig12= 2.79D-14 3.17D-09.
      1 vectors produced by pass850 Test12= 6.57D-13 2.78D-09 XBig12= 2.75D-14 3.34D-09.
      1 vectors produced by pass851 Test12= 6.57D-13 2.78D-09 XBig12= 2.83D-14 3.06D-09.
      1 vectors produced by pass852 Test12= 6.57D-13 2.78D-09 XBig12= 2.53D-14 3.32D-09.
      1 vectors produced by pass853 Test12= 6.57D-13 2.78D-09 XBig12= 2.84D-14 2.93D-09.
      1 vectors produced by pass854 Test12= 6.57D-13 2.78D-09 XBig12= 2.55D-14 3.21D-09.
      1 vectors produced by pass855 Test12= 6.57D-13 2.78D-09 XBig12= 2.61D-14 3.17D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 5.55D-15
 Solved reduced A of dimension  1518 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  468996 ScalPx= 1.67D+04
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  468996 ScalPx= 1.67D+04
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  468996 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 1.40D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.543181D+03  0.380827D+02 -0.137341D-01
      2   0.380827D+02  0.342251D+03 -0.183699D-02
      3  -0.137341D-01 -0.183699D-02  0.252650D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867779D+02  0.226410D+02  0.398276D-01
      2  -0.206099D+03  0.215103D+02  0.533712D-01
      3  -0.256513D+01  0.192479D+00 -0.167462D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242245D+00  0.179507D-01 -0.636471D+00
      2  -0.186591D+00  0.222846D-01 -0.109753D+03
      3  -0.556539D-01 -0.402352D-01  0.110390D+03
      4  -0.756973D-01 -0.588778D-01  0.877023D+02
      5   0.158233D+03  0.918448D+02  0.384817D-01
      6   0.682570D+02  0.468467D+02 -0.121585D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.969712D+01 -0.656877D+00  0.204502D+01  0.206413D+01  0.222205D+01
      2  -0.656877D+00  0.824724D+00  0.651111D+00  0.222205D+01 -0.852956D+00
      3   0.204502D+01  0.651111D+00  0.178000D+01 -0.367118D+00  0.455869D+00
                 6             7             8             9            10 
      1  -0.367118D+00 -0.587717D+01 -0.104805D+01  0.232242D+01 -0.195737D+02
      2   0.455869D+00 -0.104805D+01 -0.905881D+00  0.340681D+01 -0.873362D+00
      3   0.348703D+01  0.232242D+01  0.340681D+01  0.569462D+00 -0.570525D+00
                11            12            13            14            15 
      1  -0.873362D+00 -0.570525D+00  0.103696D+02 -0.383399D+01  0.983032D+00
      2  -0.377983D+01  0.867338D+00 -0.383399D+01 -0.575119D+00 -0.211667D+01
      3   0.867338D+00 -0.198397D+01  0.983032D+00 -0.211667D+01 -0.447459D+01
                16            17            18            19            20 
      1   0.166882D+01  0.923925D+00 -0.472862D+01  0.864148D+02  0.907967D+01
      2   0.923925D+00 -0.279857D+00 -0.295106D+01  0.907967D+01  0.110370D+02
      3  -0.472862D+01 -0.295106D+01  0.230733D+00  0.675801D+00  0.116027D+01
                21            22            23            24            25 
      1   0.675801D+00  0.258684D+02  0.152212D+02 -0.638314D+00  0.364277D+02
      2   0.116027D+01  0.152212D+02  0.113331D+02  0.172197D+01  0.385920D+01
      3   0.149574D+01 -0.638314D+00  0.172197D+01  0.137161D+01  0.316425D+01
                26            27            28            29            30 
      1   0.385920D+01  0.316425D+01 -0.195861D+03 -0.932248D+01 -0.519319D+01
      2   0.164652D+01  0.179629D+01 -0.932248D+01  0.468178D+01 -0.121619D-01
      3   0.179629D+01  0.902973D+00 -0.519319D+01 -0.121619D-01 -0.156328D+00
                31            32            33            34            35 
      1   0.168534D+02 -0.102370D+02 -0.258186D+01  0.271034D+02 -0.163214D+01
      2  -0.102370D+02  0.480561D+01 -0.145706D+00 -0.163214D+01  0.817030D+00
      3  -0.258186D+01 -0.145706D+00  0.469862D+00  0.347818D+01  0.283235D+01
                36            37            38            39            40 
      1   0.347818D+01  0.733940D+02  0.109906D+02 -0.217203D+00  0.763035D+02
      2   0.283235D+01  0.109906D+02  0.113468D+01  0.206608D+01  0.150473D+02
      3   0.104557D+01 -0.217203D+00  0.206608D+01 -0.335218D+01  0.462456D+01
                41            42            43            44            45 
      1   0.150473D+02  0.462456D+01 -0.546096D+02  0.257163D+01 -0.570875D+01
      2   0.915876D+00 -0.154147D+01  0.257163D+01 -0.341081D-01 -0.146152D+01
      3  -0.154147D+01  0.201996D+01 -0.570875D+01 -0.146152D+01  0.247505D+01
                46            47            48            49            50 
      1   0.248087D+01 -0.486942D+01  0.182809D+01 -0.669593D+01 -0.734753D+01
      2  -0.486942D+01 -0.414149D+01 -0.244234D+00 -0.734753D+01 -0.510982D+00
      3   0.182809D+01 -0.244234D+00  0.321533D+01  0.127841D+01  0.251272D+01
                51            52            53            54            55 
      1   0.127841D+01 -0.212809D+01 -0.375537D+01  0.461373D+01 -0.647518D+01
      2   0.251272D+01 -0.375537D+01 -0.594033D+00 -0.292166D+00 -0.666948D+01
      3  -0.106180D+01  0.461373D+01 -0.292166D+00 -0.167208D+01  0.165832D+01
                56            57            58            59            60 
      1  -0.666948D+01  0.165832D+01 -0.471460D+02 -0.465823D+01 -0.320138D+01
      2  -0.286719D+00 -0.172905D+01 -0.465823D+01  0.859605D+00  0.294558D+01
      3  -0.172905D+01  0.420037D+01 -0.320138D+01  0.294558D+01  0.286962D+01
                61            62            63            64            65 
      1   0.193085D+02  0.654657D+00  0.601318D+01  0.380357D+03  0.237390D+02
      2   0.654657D+00  0.372910D+01  0.266802D+01  0.237390D+02 -0.413787D+01
      3   0.601318D+01  0.266802D+01 -0.120326D+01  0.361040D+01 -0.102873D+01
                66            67            68            69            70 
      1   0.361040D+01  0.126732D+03  0.173308D+02  0.784187D+01  0.142432D+03
      2  -0.102873D+01  0.173308D+02  0.720446D+01  0.115939D+01  0.923072D+01
      3   0.923472D-01  0.784187D+01  0.115939D+01  0.965969D+00  0.168430D+01
                71            72            73            74            75 
      1   0.923072D+01  0.168430D+01 -0.198515D+00 -0.354168D-01 -0.249019D+01
      2   0.629244D+00  0.114820D+01 -0.354168D-01  0.126674D-01  0.108613D-01
      3   0.114820D+01  0.389934D+00 -0.249019D+01  0.108613D-01  0.409270D-04
                76            77            78            79            80 
      1   0.121419D+01  0.215176D-01 -0.183120D+02 -0.210141D+03 -0.150462D+02
      2   0.215176D-01  0.114316D-01 -0.215995D+00 -0.150462D+02 -0.467184D+00
      3  -0.183120D+02 -0.215995D+00  0.722674D-02  0.525110D-01  0.488801D-02
                81            82            83            84            85 
      1   0.525110D-01  0.316706D+03  0.546147D+01 -0.412239D+00 -0.146895D+03
      2   0.488801D-02  0.546147D+01 -0.227377D+01 -0.105858D+01  0.148656D+00
      3  -0.469935D+00 -0.412239D+00 -0.105858D+01 -0.560767D-01  0.556224D+01
                86            87            88            89            90 
      1   0.148656D+00  0.556224D+01 -0.276620D+02 -0.640316D+00  0.203464D+00
      2  -0.403883D+01 -0.407128D+00 -0.640316D+00 -0.216705D+00 -0.122028D+01
      3  -0.407128D+00 -0.322201D+00  0.203464D+00 -0.122028D+01 -0.209881D+00
                91            92            93            94            95 
      1  -0.196862D+03 -0.833444D+01  0.245819D+01 -0.773453D+02 -0.266504D+02
      2  -0.833444D+01 -0.374683D+01 -0.194429D+00 -0.266504D+02 -0.230081D+02
      3   0.245819D+01 -0.194429D+00 -0.957736D+00 -0.456750D+01 -0.270985D+01
                96            97            98            99           100 
      1  -0.456750D+01 -0.312764D+02 -0.417123D+01 -0.225247D+01  0.218533D+02
      2  -0.270985D+01 -0.417123D+01 -0.279300D+01 -0.456846D+01 -0.731793D+01
      3  -0.258234D+01 -0.225247D+01 -0.456846D+01 -0.187640D+01 -0.296804D+00
               101           102           103           104           105 
      1  -0.731793D+01 -0.296804D+00 -0.132871D+02  0.161913D+02  0.252611D+01
      2  -0.439564D+01 -0.428016D+00  0.161913D+02  0.431371D+01  0.677423D+00
      3  -0.428016D+00 -0.134439D+01  0.252611D+01  0.677423D+00 -0.361975D+00
               106           107           108           109           110 
      1   0.198592D+01  0.248048D+01 -0.470926D-01  0.719752D+01  0.175237D+01
      2   0.248048D+01 -0.118950D+01  0.117347D+01  0.175237D+01  0.442228D+01
      3  -0.470926D-01  0.117347D+01 -0.354349D+00  0.201522D+01  0.327438D-01
               111           112           113           114           115 
      1   0.201522D+01 -0.714866D+01 -0.121008D+01 -0.113021D+01  0.634844D+01
      2   0.327438D-01 -0.121008D+01 -0.482819D+01  0.106074D+01  0.139108D+01
      3   0.101779D+01 -0.113021D+01  0.106074D+01 -0.625939D+00  0.225268D+01
               116           117           118           119           120 
      1   0.139108D+01  0.225268D+01 -0.148662D+02 -0.625844D+01  0.188405D+00
      2   0.469035D+01 -0.153953D+01 -0.625844D+01 -0.163801D+01 -0.158081D+01
      3  -0.153953D+01  0.373493D+01  0.188405D+00 -0.158081D+01  0.316139D+01
               121           122           123           124           125 
      1  -0.799590D+01 -0.245799D+01 -0.156696D+01  0.104350D+01 -0.168746D+01
      2  -0.245799D+01 -0.310862D+00  0.173309D+01 -0.168746D+01  0.177336D+01
      3  -0.156696D+01  0.173309D+01 -0.463003D+00  0.263852D+01 -0.830976D+00
               126           127           128           129           130 
      1   0.263852D+01  0.230815D+00  0.477969D+01 -0.884285D+00  0.247289D+02
      2  -0.830976D+00  0.477969D+01 -0.162887D+00  0.167007D+01  0.393043D+00
      3  -0.363689D+01 -0.884285D+00  0.167007D+01 -0.242351D+01  0.259540D+01
               131           132           133           134           135 
      1   0.393043D+00  0.259540D+01 -0.611238D+01  0.131635D+00 -0.403343D+01
      2  -0.176866D+01 -0.282922D+01  0.131635D+00 -0.318013D+01 -0.301734D+01
      3  -0.282922D+01 -0.252516D+01 -0.403343D+01 -0.301734D+01  0.140142D+01
               136           137           138           139           140 
      1   0.582782D+00  0.406968D+01 -0.129666D+01  0.401259D+01 -0.188171D+01
      2   0.406968D+01 -0.487498D+00  0.187920D+01 -0.188171D+01 -0.112730D+01
      3  -0.129666D+01  0.187920D+01 -0.234445D+01  0.150008D+01 -0.404804D+01
               141           142           143           144           145 
      1   0.150008D+01  0.908736D-01  0.146883D+01 -0.267913D+01 -0.379917D+03
      2  -0.404804D+01  0.146883D+01 -0.292647D+01 -0.210832D+01 -0.238801D+02
      3  -0.219059D+01 -0.267913D+01 -0.210832D+01  0.108726D+01  0.377608D+01
               146           147           148           149           150 
      1  -0.238801D+02  0.377608D+01 -0.128291D+03 -0.173742D+02  0.793196D+01
      2   0.412585D+01 -0.102725D+01 -0.173742D+02 -0.719494D+01  0.116518D+01
      3  -0.102725D+01 -0.924042D-01  0.793196D+01  0.116518D+01 -0.971149D+00
               151           152           153           154           155 
      1   0.143085D+03  0.927841D+01 -0.175853D+01  0.196779D+03  0.944043D+01
      2   0.927841D+01  0.631142D+00 -0.115039D+01  0.944043D+01 -0.467837D+01
      3  -0.175853D+01 -0.115039D+01  0.395714D+00 -0.523032D+01 -0.134507D-01
               156           157           158           159           160 
      1  -0.523032D+01 -0.159312D+02  0.101908D+02 -0.256937D+01  0.271552D+02
      2  -0.134507D-01  0.101908D+02 -0.482320D+01 -0.151567D+00 -0.159671D+01
      3   0.159052D+00 -0.256937D+01 -0.151567D+00 -0.468662D+00 -0.347881D+01
               161           162           163           164           165 
      1  -0.159671D+01 -0.347881D+01 -0.735063D+02 -0.110146D+02 -0.203836D+00
      2   0.827772D+00 -0.283437D+01 -0.110146D+02 -0.113570D+01  0.206750D+01
      3  -0.283437D+01  0.104990D+01 -0.203836D+00  0.206750D+01  0.334402D+01
               166           167           168           169           170 
      1  -0.766846D+02 -0.150819D+02  0.463167D+01 -0.547701D+02  0.255301D+01
      2  -0.150819D+02 -0.914493D+00 -0.153654D+01  0.255301D+01 -0.221255D-01
      3   0.463167D+01 -0.153654D+01 -0.200956D+01  0.570489D+01  0.147092D+01
               171           172           173           174           175 
      1   0.570489D+01  0.648702D+01  0.668215D+01  0.167264D+01  0.472079D+02
      2   0.147092D+01  0.668215D+01  0.288586D+00 -0.172204D+01  0.467158D+01
      3   0.249388D+01  0.167264D+01 -0.172204D+01 -0.418966D+01 -0.318834D+01
               176           177           178           179           180 
      1   0.467158D+01 -0.318834D+01  0.193290D+02  0.655706D+00 -0.599807D+01
      2  -0.858239D+00  0.294050D+01  0.655706D+00  0.372482D+01 -0.267694D+01
      3   0.294050D+01 -0.288411D+01 -0.599807D+01 -0.267694D+01 -0.121992D+01
               181           182           183           184           185 
      1   0.195684D+02  0.868750D+00 -0.580285D+00 -0.102977D+02  0.383122D+01
      2   0.868750D+00  0.377884D+01  0.864651D+00  0.383122D+01  0.581142D+00
      3  -0.580285D+00  0.864651D+00  0.197810D+01  0.979121D+00 -0.210736D+01
               186           187           188           189           190 
      1   0.979121D+00  0.172569D+01  0.940300D+00  0.472383D+01 -0.865573D+02
      2  -0.210736D+01  0.940300D+00 -0.270891D+00  0.295453D+01 -0.910237D+01
      3   0.447939D+01  0.472383D+01  0.295453D+01  0.239307D+00  0.688021D+00
               191           192           193           194           195 
      1  -0.910237D+01  0.688021D+00 -0.259928D+02 -0.151587D+02 -0.629014D+00
      2  -0.110384D+02  0.116109D+01 -0.151587D+02 -0.113360D+02  0.172812D+01
      3   0.116109D+01 -0.149619D+01 -0.629014D+00  0.172812D+01 -0.137271D+01
               196           197           198           199           200 
      1   0.363726D+02  0.385280D+01 -0.316969D+01  0.974341D+01  0.672026D+00
      2   0.385280D+01  0.162817D+01 -0.179608D+01  0.672026D+00 -0.820821D+00
      3  -0.316969D+01 -0.179608D+01  0.901415D+00  0.206371D+01  0.657717D+00
               201           202           203           204           205 
      1   0.206371D+01 -0.208118D+01 -0.222808D+01 -0.360445D+00 -0.588367D+01
      2   0.657717D+00 -0.222808D+01  0.848615D+00  0.450466D+00 -0.105146D+01
      3  -0.177427D+01 -0.360445D+00  0.450466D+00 -0.348710D+01 -0.231789D+01
               206           207           208           209           210 
      1  -0.105146D+01 -0.231789D+01 -0.244547D+01  0.487553D+01  0.183870D+01
      2  -0.911493D+00 -0.340662D+01  0.487553D+01  0.414927D+01 -0.242193D+00
      3  -0.340662D+01  0.563383D+00  0.183870D+01 -0.242193D+00 -0.320632D+01
               211           212           213           214           215 
      1   0.672731D+01  0.735905D+01  0.128106D+01 -0.213718D+01 -0.375890D+01
      2   0.735905D+01  0.523572D+00  0.251867D+01 -0.375890D+01 -0.591535D+00
      3   0.128106D+01  0.251867D+01  0.105767D+01 -0.460869D+01  0.285623D+00
               216           217           218           219           220 
      1  -0.460869D+01 -0.570281D+00 -0.406903D+01 -0.130708D+01 -0.401187D+01
      2   0.285623D+00 -0.406903D+01  0.499663D+00  0.186661D+01  0.189682D+01
      3  -0.168915D+01 -0.130708D+01  0.186661D+01  0.233696D+01  0.148400D+01
               221           222           223           224           225 
      1   0.189682D+01  0.148400D+01  0.924741D-01  0.145634D+01  0.267113D+01
      2   0.111560D+01 -0.404825D+01  0.145634D+01 -0.292437D+01  0.212196D+01
      3  -0.404825D+01  0.220661D+01  0.267113D+01  0.212196D+01  0.109328D+01
               226           227           228           229           230 
      1  -0.189769D+00 -0.478574D+01 -0.897071D+00 -0.247641D+02 -0.400245D+00
      2  -0.478574D+01  0.161174D+00  0.166254D+01 -0.400245D+00  0.176787D+01
      3  -0.897071D+00  0.166254D+01  0.241549D+01  0.258425D+01 -0.282215D+01
               231           232           233           234           235 
      1   0.258425D+01 -0.612686D+01  0.119432D+00  0.402214D+01  0.148803D+02
      2  -0.282215D+01  0.119432D+00 -0.317666D+01  0.302775D+01  0.626711D+01
      3   0.253695D+01  0.402214D+01  0.302775D+01  0.141118D+01  0.196157D+00
               236           237           238           239           240 
      1   0.626711D+01  0.196157D+00  0.803227D+01  0.246511D+01 -0.156783D+01
      2   0.164293D+01 -0.157834D+01  0.246511D+01  0.315261D+00  0.173143D+01
      3  -0.157834D+01 -0.315418D+01 -0.156783D+01  0.173143D+01  0.451906D+00
               241           242           243           244           245 
      1   0.107515D+01 -0.168462D+01 -0.263089D+01  0.196974D+03  0.835576D+01
      2  -0.168462D+01  0.177107D+01  0.821450D+00  0.835576D+01  0.372492D+01
      3  -0.263089D+01  0.821450D+00 -0.365261D+01  0.239557D+01 -0.206571D+00
               246           247           248           249           250 
      1   0.239557D+01  0.780467D+02  0.265788D+02 -0.459389D+01 -0.315103D+02
      2  -0.206571D+00  0.265788D+02  0.230259D+02 -0.271558D+01 -0.419111D+01
      3   0.956091D+00 -0.459389D+01 -0.271558D+01  0.258422D+01  0.226299D+01
               251           252           253           254           255 
      1  -0.419111D+01  0.226299D+01 -0.219484D+02  0.731483D+01 -0.283317D+00
      2  -0.278946D+01  0.457106D+01  0.731483D+01  0.440028D+01 -0.428529D+00
      3   0.457106D+01 -0.187468D+01 -0.283317D+00 -0.428529D+00  0.134464D+01
               256           257           258           259           260 
      1   0.132853D+02 -0.161384D+02  0.251713D+01  0.205176D+01  0.250453D+01
      2  -0.161384D+02 -0.431986D+01  0.677251D+00  0.250453D+01 -0.118098D+01
      3   0.251713D+01  0.677251D+00  0.362699D+00  0.493428D-01 -0.117399D+01
               261           262           263           264           265 
      1   0.493428D-01 -0.720768D+01 -0.175121D+01  0.201549D+01  0.715488D+01
      2  -0.117399D+01 -0.175121D+01 -0.442859D+01  0.326159D-01  0.120591D+01
      3  -0.350883D+00  0.201549D+01  0.326159D-01 -0.101851D+01 -0.113053D+01
               266           267           268           269           270 
      1   0.120591D+01 -0.113053D+01  0.634371D+01  0.138710D+01 -0.225407D+01
      2   0.483100D+01  0.106084D+01  0.138710D+01  0.469045D+01  0.153939D+01
      3   0.106084D+01  0.626087D+00 -0.225407D+01  0.153939D+01  0.373370D+01
               271           272           273           274           275 
      1  -0.317791D+03 -0.541656D+01 -0.261360D+00  0.145992D+03 -0.783695D-01
      2  -0.541656D+01  0.228473D+01 -0.104917D+01 -0.783695D-01  0.402549D+01
      3  -0.261360D+00 -0.104917D+01  0.551494D-01  0.545567D+01 -0.403897D+00
               276           277           278           279           280 
      1   0.545567D+01 -0.272768D+02 -0.659405D+00 -0.194465D+00 -0.980783D+01
      2  -0.403897D+00 -0.659405D+00 -0.222415D+00  0.121900D+01 -0.247842D+01
      3   0.319178D+00 -0.194465D+00  0.121900D+01 -0.207884D+00 -0.196204D+01
               281           282           283           284           285 
      1  -0.247842D+01 -0.196204D+01  0.369296D+01  0.542197D-01  0.369531D+00
      2  -0.479884D+01  0.114368D+01  0.542197D-01  0.192212D+01 -0.123730D+01
      3   0.114368D+01 -0.154214D+01  0.369531D+00 -0.123730D+01  0.163969D+00
               286           287           288           289           290 
      1  -0.787818D+01 -0.160998D+01 -0.239354D+01 -0.301669D+01  0.154976D+01
      2  -0.160998D+01 -0.282542D+01  0.148015D+01  0.154976D+01  0.187038D+01
      3  -0.239354D+01  0.148015D+01 -0.362911D+01 -0.640417D+00 -0.383416D+00
               291           292           293           294           295 
      1  -0.640417D+00 -0.398245D+01  0.227404D+01 -0.257785D+00  0.112020D+01
      2  -0.383416D+00  0.227404D+01  0.613809D+01 -0.103188D+01 -0.310503D+00
      3   0.716307D+00 -0.257785D+00 -0.103188D+01  0.728653D+00  0.541764D+00
               296           297           298           299           300 
      1  -0.310503D+00  0.541764D+00  0.302872D+01 -0.155679D+01 -0.642061D+00
      2  -0.653862D+00  0.149496D+01 -0.155679D+01 -0.187034D+01 -0.384269D+00
      3   0.149496D+01 -0.914171D+00 -0.642061D+00 -0.384269D+00 -0.716631D+00
               301           302           303           304           305 
      1   0.395644D+01 -0.228741D+01 -0.260267D+00  0.112414D+01 -0.312081D+00
      2  -0.228741D+01 -0.613483D+01 -0.103272D+01 -0.312081D+00 -0.653863D+00
      3  -0.260267D+00 -0.103272D+01 -0.728900D+00 -0.542682D+00 -0.149484D+01
               306           307           308           309           310 
      1  -0.542682D+00  0.981932D+01  0.249110D+01 -0.196406D+01 -0.370836D+01
      2  -0.149484D+01  0.249110D+01  0.480041D+01  0.114436D+01 -0.670568D-01
      3  -0.914925D+00 -0.196406D+01  0.114436D+01  0.154275D+01  0.372557D+00
               311           312           313           314           315 
      1  -0.670568D-01  0.372557D+00 -0.786997D+01 -0.161411D+01  0.239619D+01
      2  -0.192563D+01 -0.123800D+01 -0.161411D+01 -0.282398D+01 -0.148035D+01
      3  -0.123800D+01 -0.165464D+00  0.239619D+01 -0.148035D+01 -0.362748D+01
               316           317           318           319           320 
      1  -0.827359D+01 -0.413375D+01 -0.171510D+01 -0.628635D+01 -0.602153D+01
      2  -0.413375D+01 -0.440433D+01 -0.102832D+01 -0.602153D+01 -0.663310D+01
      3  -0.171510D+01 -0.102832D+01 -0.115226D+01 -0.204670D+01 -0.216416D+01
               321           322           323           324           325 
      1  -0.204670D+01 -0.502984D+00  0.505897D+00 -0.706732D+00  0.160616D+01
      2  -0.216416D+01  0.505897D+00 -0.823508D+00 -0.105678D+01 -0.119126D+01
      3  -0.167412D+01 -0.706732D+00 -0.105678D+01 -0.608064D+00 -0.140488D+01
               326           327           328           329           330 
      1  -0.119126D+01 -0.140488D+01 -0.174998D+01 -0.382024D+00  0.952565D-01
      2   0.953018D+00  0.134309D+01 -0.382024D+00 -0.151126D+01 -0.145839D+01
      3   0.134309D+01  0.353462D+01  0.952565D-01 -0.145839D+01 -0.116756D+01
               331           332           333           334           335 
      1   0.167904D+01  0.483209D+00  0.945059D+00 -0.168297D+02 -0.806410D+00
      2   0.483209D+00 -0.141222D+01 -0.188437D+01 -0.806410D+00 -0.104691D+01
      3   0.945059D+00 -0.188437D+01 -0.481569D+01 -0.408197D+01 -0.983668D-01
               336           337           338           339           340 
      1  -0.408197D+01 -0.128435D+01 -0.162653D+01 -0.670224D-02 -0.262815D+01
      2  -0.983668D-01 -0.162653D+01  0.169866D+00 -0.506307D+00 -0.300910D+00
      3  -0.231460D+01 -0.670224D-02 -0.506307D+00  0.143358D+00 -0.206861D+01
               341           342           343           344           345 
      1  -0.300910D+00 -0.206861D+01 -0.654175D+00  0.367474D+00 -0.912863D+00
      2   0.175276D+00  0.532355D-01  0.367474D+00  0.668675D+00 -0.654374D+00
      3   0.532355D-01 -0.106276D+01 -0.912863D+00 -0.654374D+00  0.189492D+01
               346           347           348           349           350 
      1   0.661895D-01 -0.747289D-01  0.508772D+00 -0.247228D+00  0.668877D+00
      2  -0.747289D-01  0.162122D+01 -0.181885D+01  0.668877D+00 -0.153521D+01
      3   0.508772D+00 -0.181885D+01  0.308279D+01 -0.631666D+00  0.230878D+01
               351           352           353           354           355 
      1  -0.631666D+00 -0.597043D+01  0.331227D+01  0.525367D+00  0.560836D+01
      2   0.230878D+01  0.331227D+01 -0.203461D+01 -0.357123D+00 -0.335004D+01
      3  -0.620945D+01  0.525367D+00 -0.357123D+00 -0.926638D+00 -0.384332D+00
               356           357           358           359           360 
      1  -0.335004D+01 -0.384332D+00  0.145945D+01 -0.843498D+00 -0.167631D+01
      2   0.487562D+01  0.515976D+00 -0.843498D+00  0.602100D+00  0.715107D+00
      3   0.515976D+00  0.469840D+00 -0.167631D+01  0.715107D+00  0.509431D+00
               361           362           363           364           365 
      1   0.443915D+01  0.199373D+01 -0.100143D+00  0.144732D+01  0.903135D+00
      2   0.199373D+01  0.133791D+01 -0.369274D+00  0.903135D+00  0.779934D+00
      3  -0.100143D+00 -0.369274D+00  0.255521D+01 -0.211163D+00  0.680563D+00
               366           367           368           369           370 
      1  -0.211163D+00 -0.149192D+01 -0.608335D+00  0.143216D+01 -0.807214D+00
      2   0.680563D+00 -0.608335D+00  0.260163D+00  0.656651D+00 -0.394884D+00
      3   0.901286D+00  0.143216D+01  0.656651D+00 -0.202983D+00  0.974934D+00
               371           372           373           374           375 
      1  -0.394884D+00  0.974934D+00 -0.116142D+01 -0.112706D+01  0.109927D+01
      2  -0.133166D+00 -0.140670D+00 -0.112706D+01 -0.351546D+01  0.298673D+01
      3  -0.140670D+00 -0.430669D+00  0.109927D+01  0.298673D+01 -0.463448D+01
               376           377           378           379           380 
      1   0.136511D+01  0.694442D+00 -0.148759D+01 -0.459135D+01  0.204277D+01
      2   0.694442D+00  0.209707D+01 -0.264339D+01  0.204277D+01 -0.161487D+01
      3  -0.148759D+01 -0.264339D+01  0.506212D+01  0.274515D+01 -0.135934D+01
               381           382           383           384           385 
      1   0.274515D+01  0.223252D+01 -0.241975D+01 -0.223811D+01  0.119761D+01
      2  -0.135934D+01 -0.241975D+01  0.254607D+01  0.241580D+01 -0.118874D+01
      3  -0.303547D+01 -0.223811D+01  0.241580D+01  0.275632D+01 -0.241796D+01
               386           387           388           389           390 
      1  -0.118874D+01 -0.241796D+01 -0.320247D+01 -0.830985D+00 -0.174067D+01
      2   0.140104D+01  0.122739D+01 -0.830985D+00 -0.858387D+00 -0.764129D+00
      3   0.122739D+01  0.304560D+01 -0.174067D+01 -0.764129D+00 -0.134775D+01
               391           392           393           394           395 
      1  -0.539505D+00 -0.134311D+01 -0.861776D+00 -0.373491D+01 -0.141671D+01
      2  -0.134311D+01 -0.138830D+01 -0.604789D+00 -0.141671D+01 -0.107146D+01
      3  -0.861776D+00 -0.604789D+00 -0.118443D+01 -0.178170D+01 -0.120101D+01
               396           397           398           399           400 
      1  -0.178170D+01 -0.451421D+01  0.290038D+01  0.219076D+01  0.103911D+02
      2  -0.120101D+01  0.290038D+01 -0.116578D+01 -0.651351D+00 -0.191887D+01
      3  -0.391727D+01  0.219076D+01 -0.651351D+00 -0.149651D+01 -0.233278D+01
               401           402           403           404           405 
      1  -0.191887D+01 -0.233278D+01  0.425325D+01 -0.701149D+00 -0.267374D+01
      2   0.182900D+01  0.106117D+01 -0.701149D+00  0.923260D+00  0.309111D+00
      3   0.106117D+01  0.124613D+01 -0.267374D+01  0.309111D+00  0.151062D+01
               406           407           408           409           410 
      1  -0.220487D+01 -0.840683D+00  0.905228D+00 -0.252012D+01 -0.297459D+01
      2  -0.840683D+00 -0.303768D+00  0.148493D+00 -0.297459D+01 -0.483969D+01
      3   0.905228D+00  0.148493D+00 -0.441404D+00  0.158029D+01  0.281826D+01
               411           412           413           414           415 
      1   0.158029D+01  0.321861D+01  0.174809D+01 -0.234569D+01 -0.223993D+00
      2   0.281826D+01  0.174809D+01  0.287889D+01 -0.260067D+01 -0.210547D+01
      3  -0.257543D+01 -0.234569D+01 -0.260067D+01  0.305703D+01 -0.921000D+00
               416           417           418           419           420 
      1  -0.210547D+01 -0.921000D+00 -0.129295D+01  0.110759D+01  0.388889D+00
      2   0.309717D+01  0.803228D+00  0.110759D+01 -0.360361D+01 -0.129286D+01
      3   0.803228D+00  0.147685D+01  0.388889D+00 -0.129286D+01 -0.701855D+00
               421           422           423           424           425 
      1  -0.960666D+00  0.701775D+00  0.111619D+01 -0.875826D+01 -0.487588D+01
      2   0.701775D+00 -0.295032D+01 -0.130260D+01 -0.487588D+01 -0.529706D+01
      3   0.111619D+01 -0.130260D+01 -0.130017D+01  0.668240D+00  0.860062D+00
               426           427           428           429           430 
      1   0.668240D+00 -0.419993D+00 -0.361595D+01  0.540125D+00 -0.132685D+01
      2   0.860062D+00 -0.361595D+01 -0.565440D+01  0.475486D+00  0.114245D+00
      3  -0.711885D+00  0.540125D+00  0.475486D+00 -0.698118D+00 -0.636635D+00
               431           432           433           434           435 
      1   0.114245D+00 -0.636635D+00  0.603837D+00 -0.859066D+00  0.963512D+00
      2  -0.195887D+00 -0.940858D+00 -0.859066D+00  0.895920D+00 -0.541505D+00
      3  -0.940858D+00  0.609932D+00  0.963512D+00 -0.541505D+00  0.214941D+01
               436           437           438           439           440 
      1   0.343554D+00  0.274320D+00  0.781250D-01  0.389278D+00 -0.197812D+00
      2   0.274320D+00  0.289082D-01  0.785771D+00 -0.197812D+00  0.218203D+01
      3   0.781250D-01  0.785771D+00 -0.204550D+00  0.905101D+00 -0.198334D+01
               441           442           443           444           445 
      1   0.905101D+00  0.800424D+00  0.393937D+00  0.969806D+00  0.116045D+01
      2  -0.198334D+01  0.393937D+00  0.125803D+00 -0.147097D+00  0.112081D+01
      3   0.621857D+01  0.969806D+00 -0.147097D+00  0.420407D+00  0.109076D+01
               446           447           448           449           450 
      1   0.112081D+01  0.109076D+01  0.136083D+01  0.687944D+00  0.147760D+01
      2   0.352182D+01  0.298719D+01  0.687944D+00  0.209644D+01  0.264007D+01
      3   0.298719D+01  0.463213D+01  0.147760D+01  0.264007D+01  0.505161D+01
               451           452           453           454           455 
      1  -0.443848D+01 -0.199284D+01 -0.104935D+00 -0.144875D+01 -0.906424D+00
      2  -0.199284D+01 -0.133888D+01 -0.372438D+00 -0.906424D+00 -0.780679D+00
      3  -0.104935D+00 -0.372438D+00 -0.255050D+01 -0.214323D+00  0.678864D+00
               456           457           458           459           460 
      1  -0.214323D+00 -0.150591D+01 -0.613469D+00 -0.143237D+01  0.459304D+01
      2   0.678864D+00 -0.613469D+00  0.259755D+00 -0.658178D+00 -0.203683D+01
      3  -0.904487D+00 -0.143237D+01 -0.658178D+00 -0.211374D+00  0.274705D+01
               461           462           463           464           465 
      1  -0.203683D+01  0.274705D+01 -0.222693D+01  0.241222D+01 -0.223879D+01
      2   0.161001D+01 -0.136061D+01  0.241222D+01 -0.253805D+01  0.241602D+01
      3  -0.136061D+01  0.304254D+01 -0.223879D+01  0.241602D+01 -0.276138D+01
               466           467           468           469           470 
      1   0.120900D+01 -0.118974D+01  0.242590D+01  0.220251D+01  0.841441D+00
      2  -0.118974D+01  0.140346D+01 -0.123203D+01  0.841441D+00  0.302619D+00
      3   0.242590D+01 -0.123203D+01  0.306256D+01  0.902855D+00  0.147074D+00
               471           472           473           474           475 
      1   0.902855D+00  0.252450D+01  0.297455D+01  0.158113D+01  0.321951D+01
      2   0.147074D+00  0.297455D+01  0.484108D+01  0.282046D+01  0.174666D+01
      3   0.441018D+00  0.158113D+01  0.282046D+01  0.257654D+01  0.234656D+01
               476           477           478           479           480 
      1   0.174666D+01  0.234656D+01  0.449748D+01 -0.289885D+01  0.219270D+01
      2   0.287820D+01  0.260007D+01 -0.289885D+01  0.116486D+01 -0.654110D+00
      3   0.260007D+01  0.305845D+01  0.219270D+01 -0.654110D+00  0.149913D+01
               481           482           483           484           485 
      1  -0.103797D+02  0.192126D+01 -0.234061D+01  0.425779D+01 -0.705506D+00
      2   0.192126D+01 -0.183137D+01  0.106585D+01 -0.705506D+00  0.926608D+00
      3  -0.234061D+01  0.106585D+01 -0.125272D+01  0.268046D+01 -0.312691D+00
               486           487           488           489           490 
      1   0.268046D+01  0.321355D+01  0.832619D+00 -0.174368D+01  0.540762D+00
      2  -0.312691D+00  0.832619D+00  0.859612D+00 -0.764366D+00  0.134326D+01
      3   0.151962D+01 -0.174368D+01 -0.764366D+00  0.135235D+01 -0.861958D+00
               491           492           493           494           495 
      1   0.134326D+01 -0.861958D+00 -0.374145D+01 -0.141632D+01  0.178369D+01
      2   0.138509D+01 -0.601629D+00 -0.141632D+01 -0.106799D+01  0.119596D+01
      3  -0.601629D+00  0.117982D+01  0.178369D+01  0.119596D+01 -0.391210D+01
               496           497           498           499           500 
      1   0.168436D+02  0.799124D+00 -0.406989D+01  0.128180D+01  0.162772D+01
      2   0.799124D+00  0.104575D+01 -0.951859D-01  0.162772D+01 -0.171488D+00
      3  -0.406989D+01 -0.951859D-01  0.230776D+01 -0.391248D-02 -0.504917D+00
               501           502           503           504           505 
      1  -0.391248D-02 -0.262265D+01 -0.301129D+00  0.206085D+01  0.652217D+00
      2  -0.504917D+00 -0.301129D+00  0.176553D+00 -0.549914D-01 -0.369551D+00
      3  -0.144451D+00  0.206085D+01 -0.549914D-01 -0.105465D+01 -0.910416D+00
               506           507           508           509           510 
      1  -0.369551D+00 -0.910416D+00 -0.731928D-01  0.762938D-01  0.512070D+00
      2  -0.667938D+00 -0.652451D+00  0.762938D-01 -0.162304D+01 -0.182091D+01
      3  -0.652451D+00 -0.189101D+01  0.512070D+00 -0.182091D+01 -0.308331D+01
               511           512           513           514           515 
      1  -0.245731D+00  0.672439D+00  0.636071D+00 -0.160480D+01  0.118847D+01
      2   0.672439D+00 -0.153701D+01 -0.231085D+01  0.118847D+01 -0.952016D+00
      3   0.636071D+00 -0.231085D+01 -0.621143D+01 -0.140150D+01  0.134278D+01
               516           517           518           519           520 
      1  -0.140150D+01  0.174621D+01  0.382347D+00  0.942866D-01  0.168064D+01
      2   0.134278D+01  0.382347D+00  0.151047D+01 -0.145970D+01  0.483159D+00
      3  -0.353581D+01  0.942866D-01 -0.145970D+01  0.117067D+01 -0.941574D+00
               521           522           523           524           525 
      1   0.483159D+00 -0.941574D+00  0.828498D+01  0.413623D+01 -0.171398D+01
      2  -0.141394D+01  0.188856D+01  0.413623D+01  0.440391D+01 -0.102695D+01
      3   0.188856D+01 -0.482961D+01 -0.171398D+01 -0.102695D+01  0.115128D+01
               526           527           528           529           530 
      1   0.628552D+01  0.602024D+01 -0.204488D+01 -0.507188D+00  0.506121D+00
      2   0.602024D+01  0.662328D+01 -0.215953D+01  0.506121D+00 -0.818402D+00
      3  -0.204488D+01 -0.215953D+01  0.167240D+01  0.705411D+00  0.105531D+01
               531           532           533           534           535 
      1   0.705411D+00  0.595251D+01 -0.330826D+01  0.526669D+00 -0.561064D+01
      2   0.105531D+01 -0.330826D+01  0.203308D+01 -0.358773D+00  0.335200D+01
      3  -0.606558D+00  0.526669D+00 -0.358773D+00  0.926581D+00 -0.387611D+00
               536           537           538           539           540 
      1   0.335200D+01 -0.387611D+00  0.148091D+01 -0.842068D+00  0.167668D+01
      2  -0.488119D+01  0.519974D+00 -0.842068D+00  0.607496D+00 -0.717341D+00
      3   0.519974D+00 -0.471369D+00  0.167668D+01 -0.717341D+00  0.513457D+00
               541           542           543           544           545 
      1   0.875695D+01  0.487733D+01  0.670840D+00  0.431021D+00  0.361537D+01
      2   0.487733D+01  0.529746D+01  0.860737D+00  0.361537D+01  0.564561D+01
      3   0.670840D+00  0.860737D+00  0.711736D+00  0.541625D+00  0.475783D+00
               546           547           548           549           550 
      1   0.541625D+00 -0.131587D+01  0.118243D+00  0.637389D+00  0.230425D+00
      2   0.475783D+00  0.118243D+00 -0.191363D+00  0.942343D+00  0.210255D+01
      3   0.698479D+00  0.637389D+00  0.942343D+00  0.610073D+00 -0.920830D+00
               551           552           553           554           555 
      1   0.210255D+01 -0.920830D+00  0.129729D+01 -0.110555D+01  0.389708D+00
      2  -0.309471D+01  0.807089D+00 -0.110555D+01  0.360965D+01 -0.129851D+01
      3   0.807089D+00 -0.147848D+01  0.389708D+00 -0.129851D+01  0.706217D+00
               556           557           558           559           560 
      1  -0.959429D+00  0.702495D+00 -0.111714D+01 -0.609076D+00  0.859125D+00
      2   0.702495D+00 -0.295891D+01  0.130938D+01  0.859125D+00 -0.901878D+00
      3  -0.111714D+01  0.130938D+01 -0.130864D+01  0.965868D+00 -0.543337D+00
               561           562           563           564           565 
      1   0.965868D+00 -0.346118D+00 -0.276875D+00  0.775340D-01  0.395533D+00
      2  -0.543337D+00 -0.276875D+00 -0.263050D-01  0.786760D+00 -0.198301D+00
      3  -0.215345D+01  0.775340D-01  0.786760D+00  0.208935D+00 -0.910102D+00
               566           567 
      1  -0.198301D+00 -0.910102D+00
      2   0.218279D+01  0.198353D+01
      3   0.198353D+01  0.620619D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.977267D+01 -0.682665D+01 -0.208349D+01  0.688054D+01  0.232911D+01
      2  -0.257017D+02 -0.977122D+00  0.166365D+02  0.512758D+01  0.375435D+01
      3  -0.794064D+02 -0.315807D+01 -0.548056D+01  0.548484D+02  0.736585D+00
                 6             7             8             9            10 
      1  -0.381196D+01 -0.137027D+02  0.540746D+01 -0.836352D+01 -0.213232D+02
      2   0.227881D+02  0.303965D+00  0.212758D+02  0.639197D+01  0.456872D+02
      3  -0.575890D+01 -0.864015D+02  0.103469D+02 -0.234895D+02 -0.584119D+02
                11            12            13            14            15 
      1   0.617665D+01  0.139765D+01  0.925382D+01  0.228033D+01 -0.484362D+01
      2   0.517024D+01 -0.402363D+01 -0.396765D+02 -0.153396D+02 -0.230836D+02
      3   0.290766D+02 -0.613017D+01 -0.270815D+01  0.119009D+02  0.100228D+02
                16            17            18            19            20 
      1   0.363105D+02  0.464842D+01  0.518548D+01  0.726706D+02 -0.593285D+01
      2  -0.187857D+02 -0.168876D+02  0.107140D+01 -0.373092D+02  0.438789D+01
      3   0.170461D+03 -0.160839D+02  0.272579D+02  0.296059D+03 -0.658796D+02
                21            22            23            24            25 
      1   0.326366D+01 -0.633385D+02 -0.285531D+01 -0.216733D+01  0.473688D+02
      2   0.466376D+01  0.166926D+03  0.444891D+00  0.318859D+02 -0.548312D+03
      3   0.944788D+00  0.217019D+03 -0.107909D+03 -0.535016D+01 -0.214830D+03
                26            27            28            29            30 
      1   0.661756D+01 -0.191950D+01 -0.177656D+03 -0.101647D+02 -0.694950D+01
      2  -0.135748D+02  0.104494D+02 -0.246270D+03 -0.153900D+02  0.297977D+02
      3  -0.340075D+02 -0.294465D+02 -0.122768D+04 -0.196912D+03 -0.101536D+02
                31            32            33            34            35 
      1   0.166360D+03 -0.848048D+01  0.131293D+02  0.956358D+02  0.103671D+02
      2  -0.157717D+03  0.734079D+01 -0.184022D+02 -0.246420D+03 -0.216522D+02
      3  -0.860450D+03 -0.132860D+03  0.618943D+02  0.115969D+03 -0.199681D+02
                36            37            38            39            40 
      1  -0.552587D+00  0.352709D+02  0.122594D+01  0.404541D+01  0.295259D+02
      2  -0.910435D+01  0.242592D+02  0.434686D+01 -0.624826D+01 -0.155943D+03
      3  -0.286912D+02  0.272542D+03  0.442243D+02 -0.492196D+01  0.515801D+03
                41            42            43            44            45 
      1   0.122833D+02 -0.957329D+01 -0.108869D+03  0.709070D+01 -0.344561D+01
      2  -0.375204D+02 -0.230500D+01  0.597440D+03  0.640284D+02  0.133705D+02
      3   0.810778D+02  0.983227D+01 -0.226197D+03  0.461513D+02  0.428804D+01
                46            47            48            49            50 
      1   0.284317D+02  0.627061D+01 -0.921624D+01  0.260298D+02 -0.781207D+01
      2  -0.169384D+03 -0.297881D+02  0.221644D+02 -0.121936D+03 -0.117452D+02
      3  -0.470294D+01 -0.145186D+02  0.668319D+01 -0.276617D+02 -0.375154D+02
                51            52            53            54            55 
      1  -0.300233D+01 -0.373698D+01  0.292397D+01  0.556741D+01 -0.210954D+02
      2  -0.329313D+01 -0.413265D+02 -0.144976D+02  0.308965D+01 -0.333123D+00
      3  -0.690685D+01 -0.160320D+02 -0.105092D+02  0.160068D+02 -0.108704D+03
                56            57            58            59            60 
      1   0.334608D+01 -0.554847D+01 -0.362995D+02 -0.692393D+01 -0.174211D+01
      2   0.832201D+00  0.215398D+02  0.253436D+03  0.501409D+02  0.271208D+02
      3  -0.182035D+02  0.129489D+02 -0.213237D+03 -0.387108D+02 -0.201542D+02
                61            62            63            64            65 
      1  -0.928255D+01  0.597307D+01  0.536754D+01  0.467444D+03  0.262650D+02
      2  -0.280452D+02  0.775580D+01 -0.174373D+02 -0.180340D+04 -0.165110D+03
      3   0.453975D+02 -0.157094D+02 -0.105961D+02 -0.241515D+03  0.762045D+02
                66            67            68            69            70 
      1   0.138306D+02  0.247883D+03  0.232283D+02  0.256281D-01  0.318974D+03
      2  -0.415439D+02 -0.181044D+04 -0.176600D+03 -0.240027D+02 -0.197518D+04
      3   0.210445D+03  0.182877D+04  0.165005D+03  0.145776D+03  0.408091D+03
                71            72            73            74            75 
      1   0.132303D+02  0.513895D+00 -0.358020D+00  0.244746D+00 -0.859776D+01
      2  -0.151091D+03 -0.933431D+01  0.553539D+01  0.680844D-02  0.805109D+01
      3  -0.210229D+02  0.984105D+02  0.116382D+03  0.423408D+03 -0.194729D+00
                76            77            78            79            80 
      1   0.972312D+00  0.210082D-02 -0.125883D+02 -0.369476D+03 -0.114831D+02
      2  -0.627967D+01 -0.125760D+01  0.704009D+02  0.372699D+04  0.113068D+03
      3  -0.241692D+04 -0.146359D+03  0.117516D+01  0.146009D+02  0.258490D+01
                81            82            83            84            85 
      1   0.462178D-01  0.385226D+03  0.175065D+02  0.455118D+00 -0.200425D+03
      2  -0.565159D+00 -0.186621D+04 -0.180928D+03  0.227450D+02  0.144307D+04
      3  -0.116172D+03  0.161016D+04 -0.564107D+02  0.181901D+03  0.935930D+03
                86            87            88            89            90 
      1  -0.866511D+01 -0.155877D+01 -0.974965D+02 -0.667894D+01  0.187689D+01
      2   0.192752D+03 -0.959432D+01 -0.179206D+03  0.909066D+02 -0.612812D+01
      3  -0.124325D+03 -0.183144D+03  0.113562D+03 -0.383610D+02  0.781512D+01
                91            92            93            94            95 
      1  -0.131080D+03 -0.216397D+01 -0.299326D+01 -0.152263D+03  0.131340D+01
      2   0.255130D+03  0.419494D+02 -0.222676D+02  0.692153D+03  0.129968D+02
      3  -0.599810D+03 -0.305493D+02 -0.521177D+02 -0.104787D+04  0.324777D+03
                96            97            98            99           100 
      1  -0.516277D+01 -0.102085D+03  0.115542D+02 -0.227372D+01  0.163553D+02
      2  -0.146632D+02  0.160408D+03 -0.129184D+02 -0.196380D+01 -0.123369D+03
      3  -0.192597D+02 -0.587209D+03  0.504913D+02 -0.527439D+01  0.798155D+02
               101           102           103           104           105 
      1   0.301209D+01 -0.347042D+01  0.215655D+01 -0.243154D+01 -0.130621D+01
      2  -0.114512D+02 -0.758920D+00 -0.106042D+03  0.170857D+02 -0.314359D+01
      3   0.493911D+02  0.183624D+02 -0.947974D+02 -0.139288D+03 -0.224429D+02
               106           107           108           109           110 
      1   0.383991D+02  0.158048D+02  0.238827D+01  0.255505D+02 -0.552278D+00
      2   0.203309D+03 -0.234051D+02 -0.584288D+01 -0.255364D+02 -0.489669D+01
      3   0.358882D+03 -0.596601D+01  0.132746D+01  0.701599D+02 -0.280078D+02
               111           112           113           114           115 
      1   0.436017D+01 -0.271735D+02  0.412608D+01 -0.490793D+01  0.215379D+02
      2   0.358451D+01  0.455599D+02  0.103169D+02 -0.747474D+00 -0.680610D+02
      3  -0.627956D+01 -0.780572D+02  0.291378D+02 -0.204611D+01  0.336161D+02
               116           117           118           119           120 
      1  -0.486841D+01  0.138779D+02 -0.200659D+02  0.444994D+01 -0.127463D+02
      2  -0.651094D+01  0.121305D+02  0.593447D+02  0.600623D+01  0.138896D+02
      3  -0.210006D+02  0.413384D+00 -0.552177D+02 -0.254406D+02  0.733173D+01
               121           122           123           124           125 
      1  -0.299583D+01 -0.960055D+01  0.604679D+00 -0.117025D+02  0.105205D+02
      2   0.218328D+02  0.126424D+02 -0.945818D+00  0.233521D+02 -0.106715D+01
      3  -0.210364D+02 -0.995308D+01 -0.169595D+02  0.168561D+02 -0.135018D+02
               126           127           128           129           130 
      1   0.154158D+02  0.900496D+01 -0.419552D+01  0.651683D+01  0.169119D+01
      2  -0.142073D+02  0.164127D+02  0.800282D+01 -0.136758D+02 -0.814091D+02
      3   0.140257D+02 -0.203111D+02  0.104101D+02 -0.117773D+02  0.108453D+03
               131           132           133           134           135 
      1   0.327172D+01 -0.163791D+01  0.373544D+01  0.338708D+01 -0.704255D+01
      2  -0.284988D+02 -0.257831D+02 -0.762528D+01 -0.204882D+02  0.166097D+02
      3   0.215610D+02  0.255185D+02 -0.504429D+02  0.201480D+02  0.158623D+02
               136           137           138           139           140 
      1   0.109307D+02 -0.306433D+01  0.719261D+01 -0.944947D+01 -0.345498D-02
      2  -0.144235D+02 -0.388545D+01 -0.220899D+01 -0.882317D+01 -0.162133D+02
      3  -0.485131D+02 -0.247056D+01 -0.874056D+01  0.854822D+01  0.667369D+01
               141           142           143           144           145 
      1  -0.170235D+02  0.574474D+01 -0.660711D+01 -0.802431D+01 -0.467180D+03
      2  -0.154799D+02 -0.158834D+02 -0.145426D+02  0.136105D+02  0.180161D+04
      3   0.186997D+02  0.723765D+01  0.167026D+02  0.812679D+01 -0.169057D+03
               146           147           148           149           150 
      1  -0.266748D+02  0.138967D+02 -0.248365D+03 -0.232681D+02  0.826692D-01
      2   0.166599D+03 -0.418063D+02  0.181574D+04  0.177161D+03 -0.244706D+02
      3   0.743337D+02 -0.210504D+03  0.188488D+04  0.161937D+03 -0.146797D+03
               151           152           153           154           155 
      1   0.319698D+03  0.133441D+02 -0.570808D+00  0.178009D+03  0.104477D+02
      2  -0.197972D+04 -0.152028D+03  0.988744D+01  0.242189D+03  0.142946D+02
      3  -0.438056D+03  0.200814D+02  0.989232D+02 -0.122120D+04 -0.198912D+03
               156           157           158           159           160 
      1  -0.694964D+01 -0.166359D+03  0.799558D+01  0.131283D+02  0.952560D+02
      2   0.296177D+02  0.153777D+03 -0.646567D+01 -0.182365D+02 -0.245583D+03
      3   0.108973D+02 -0.843207D+03 -0.132817D+03 -0.616301D+02 -0.116322D+03
               161           162           163           164           165 
      1   0.104174D+02  0.511810D+00 -0.352422D+02 -0.122058D+01  0.404692D+01
      2  -0.215074D+02  0.917201D+01 -0.242412D+02 -0.437536D+01 -0.620721D+01
      3   0.204616D+02 -0.285822D+02  0.275564D+03  0.445361D+02  0.483484D+01
               166           167           168           169           170 
      1  -0.295043D+02 -0.122795D+02 -0.954658D+01 -0.108717D+03  0.707994D+01
      2   0.157180D+03  0.376630D+02 -0.238744D+01  0.598120D+03  0.640353D+02
      3   0.514051D+03  0.815523D+02 -0.999295D+01  0.227363D+03 -0.457931D+02
               171           172           173           174           175 
      1   0.351564D+01  0.210413D+02 -0.332315D+01 -0.553600D+01  0.361244D+02
      2  -0.136186D+02  0.515187D+00 -0.862715D+00  0.214702D+02 -0.253424D+03
      3   0.426150D+01 -0.107933D+03 -0.183595D+02 -0.128902D+02 -0.211896D+03
               176           177           178           179           180 
      1   0.688538D+01 -0.177526D+01 -0.923839D+01  0.596339D+01 -0.538920D+01
      2  -0.501747D+02  0.272092D+02 -0.282343D+02  0.781956D+01  0.175008D+02
      3  -0.387010D+02  0.201683D+02 -0.444736D+02  0.155727D+02 -0.106207D+02
               181           182           183           184           185 
      1   0.212771D+02 -0.615956D+01  0.140184D+01 -0.906136D+01 -0.221954D+01
      2  -0.454732D+02 -0.513679D+01 -0.398193D+01  0.394221D+02  0.153109D+02
      3  -0.591629D+02  0.288135D+02  0.611642D+01 -0.335479D+01  0.116745D+02
               186           187           188           189           190 
      1  -0.483463D+01  0.363725D+02  0.470051D+01 -0.519099D+01 -0.728651D+02
      2  -0.231113D+02 -0.181032D+02 -0.169110D+02 -0.114293D+01  0.370940D+02
      3  -0.994995D+01 -0.171597D+03  0.158735D+02  0.272666D+02  0.297133D+03
               191           192           193           194           195 
      1   0.568790D+01  0.326018D+01  0.631913D+02  0.291464D+01 -0.217017D+01
      2  -0.435595D+01  0.471484D+01 -0.167737D+03 -0.181758D+01  0.319061D+02
      3  -0.645327D+02 -0.979029D+00  0.218873D+03 -0.106728D+03  0.540084D+01
               196           197           198           199           200 
      1   0.470723D+02  0.667422D+01  0.190270D+01  0.984053D+01  0.687476D+01
      2  -0.549170D+03 -0.135755D+02 -0.102212D+02  0.258941D+02  0.977473D+00
      3   0.214562D+03  0.336052D+02 -0.294803D+02 -0.801267D+02 -0.327058D+01
               201           202           203           204           205 
      1  -0.210475D+01 -0.690027D+01 -0.233403D+01 -0.380786D+01 -0.137122D+02
      2   0.166162D+02 -0.540541D+01 -0.380525D+01  0.227923D+02 -0.156897D-01
      3   0.552212D+01  0.552910D+02  0.872062D+00  0.573003D+01  0.863952D+02
               206           207           208           209           210 
      1   0.538038D+01  0.837497D+01 -0.283447D+02 -0.626412D+01 -0.919079D+01
      2   0.212509D+02 -0.634573D+01  0.169176D+03  0.297223D+02  0.220881D+02
      3  -0.101467D+02 -0.234763D+02 -0.361205D+01 -0.145221D+02 -0.669656D+01
               211           212           213           214           215 
      1  -0.260440D+02  0.779884D+01 -0.301440D+01 -0.371659D+01  0.289275D+01
      2   0.122205D+03  0.117204D+02 -0.330602D+01 -0.415429D+02 -0.144199D+02
      3  -0.271184D+02 -0.374566D+02  0.691177D+01  0.148216D+02  0.105207D+02
               216           217           218           219           220 
      1  -0.560943D+01 -0.109292D+02  0.309739D+01  0.714116D+01  0.953423D+01
      2  -0.300435D+01  0.144507D+02  0.394992D+01 -0.215083D+01  0.882846D+01
      3   0.159643D+02 -0.480384D+02 -0.244867D+01  0.870675D+01  0.875435D+01
               221           222           223           224           225 
      1  -0.424306D-01 -0.170182D+02  0.566835D+01 -0.660654D+01  0.807161D+01
      2   0.161792D+02 -0.155139D+02 -0.158352D+02 -0.145580D+02 -0.136081D+02
      3   0.654222D+01 -0.187068D+02 -0.728190D+01 -0.167012D+02  0.819641D+01
               226           227           228           229           230 
      1  -0.900911D+01  0.417762D+01  0.649390D+01 -0.166243D+01 -0.325775D+01
      2  -0.165804D+02 -0.797725D+01 -0.135943D+02  0.815347D+02  0.284857D+02
      3  -0.203075D+02  0.104484D+02  0.117472D+02  0.107880D+03  0.215773D+02
               231           232           233           234           235 
      1  -0.158651D+01  0.371683D+01  0.341498D+01  0.706865D+01  0.201126D+02
      2  -0.258578D+02 -0.763700D+01 -0.205435D+02 -0.166536D+02 -0.593891D+02
      3  -0.254766D+02  0.499623D+02 -0.200198D+02  0.159262D+02 -0.549315D+02
               236           237           238           239           240 
      1  -0.442087D+01 -0.127191D+02  0.303540D+01  0.960224D+01  0.564339D+00
      2  -0.605885D+01  0.138638D+02 -0.219974D+02 -0.126416D+02 -0.900817D+00
      3  -0.254932D+02 -0.733375D+01 -0.220287D+02 -0.996190D+01  0.169431D+02
               241           242           243           244           245 
      1  -0.116457D+02  0.104818D+02 -0.154790D+02  0.131029D+03  0.240507D+01
      2   0.231782D+02 -0.101670D+01  0.142521D+02 -0.253327D+03 -0.407695D+02
      3  -0.163369D+02  0.134263D+02  0.139427D+02 -0.608656D+03 -0.342086D+02
               246           247           248           249           250 
      1  -0.297779D+01  0.152190D+03 -0.961314D+00 -0.520648D+01 -0.102373D+03
      2  -0.223232D+02 -0.691097D+03 -0.126926D+02 -0.145383D+02  0.159548D+03
      3   0.519654D+02 -0.106779D+04  0.323704D+03  0.196717D+02  0.593717D+03
               251           252           253           254           255 
      1   0.115461D+02  0.228866D+01 -0.164446D+02 -0.300396D+01 -0.346968D+01
      2  -0.128330D+02  0.196785D+01  0.123294D+03  0.113918D+02 -0.792572D+00
      3  -0.498549D+02 -0.535815D+01  0.842258D+02  0.491361D+02 -0.183942D+02
               256           257           258           259           260 
      1  -0.205995D+01  0.251511D+01 -0.129736D+01  0.382333D+02  0.157612D+02
      2   0.106776D+03 -0.168918D+02 -0.319047D+01  0.204423D+03 -0.232923D+02
      3  -0.943574D+02 -0.139353D+03  0.223680D+02 -0.357975D+03  0.618499D+01
               261           262           263           264           265 
      1  -0.239697D+01 -0.254808D+02  0.565905D+00  0.436956D+01  0.270533D+02
      2   0.573939D+01  0.253297D+02  0.490459D+01  0.359227D+01 -0.453293D+02
      3   0.140050D+01  0.715969D+02 -0.281296D+02  0.624480D+01 -0.798050D+02
               266           267           268           269           270 
      1  -0.416146D+01 -0.491322D+01  0.214626D+02 -0.487864D+01 -0.138777D+02
      2  -0.103136D+02 -0.747481D+00 -0.678574D+02 -0.649775D+01 -0.121206D+02
      3   0.293635D+02  0.209317D+01 -0.356491D+02  0.210799D+02  0.451121D+00
               271           272           273           274           275 
      1  -0.385321D+03 -0.177644D+02  0.519984D+00  0.200093D+03  0.873438D+01
      2   0.186461D+04  0.179461D+03  0.223383D+02 -0.143991D+04 -0.192018D+03
      3   0.167915D+04 -0.555731D+02 -0.182172D+03  0.867305D+03 -0.122080D+03
               276           277           278           279           280 
      1  -0.159143D+01 -0.966146D+02 -0.666468D+01 -0.185795D+01 -0.215287D+01
      2  -0.920695D+01 -0.181201D+03  0.901117D+02  0.614241D+01  0.137275D+03
      3   0.182390D+03 -0.106074D+03  0.355611D+02  0.806537D+01 -0.499307D+02
               281           282           283           284           285 
      1   0.170864D+01  0.380121D+01  0.260252D+00  0.206482D+01 -0.515381D+00
      2   0.735363D+00  0.471499D+01 -0.914819D+02  0.387676D+01 -0.714040D+00
      3  -0.460178D+02 -0.451941D+01  0.669543D+02  0.179375D+02 -0.175696D+01
               286           287           288           289           290 
      1  -0.548202D+01 -0.130401D+01  0.109202D+02 -0.363084D+01 -0.746078D+00
      2   0.997377D+02  0.472854D+01  0.102271D+02  0.628746D+01  0.535867D+01
      3   0.873637D+01 -0.259849D+02 -0.691104D+01  0.244649D+02  0.209556D+02
               291           292           293           294           295 
      1  -0.336353D+01 -0.266514D+01 -0.160434D+01 -0.516286D+01 -0.241319D+01
      2  -0.131282D+00 -0.202936D+02  0.668402D+01 -0.570071D+00 -0.148021D+02
      3  -0.391214D+01  0.828409D+02  0.420668D+02 -0.689819D+01  0.335465D+01
               296           297           298           299           300 
      1  -0.337003D+01  0.274118D+01  0.364795D+01  0.728662D+00 -0.336317D+01
      2  -0.281354D+01  0.244041D+01 -0.642055D+01 -0.537181D+01 -0.132779D+00
      3  -0.624922D+01  0.758227D+01  0.244177D+02  0.208465D+02  0.392847D+01
               301           302           303           304           305 
      1   0.264454D+01  0.155009D+01 -0.515836D+01 -0.241662D+01 -0.338086D+01
      2   0.200385D+02 -0.670178D+01 -0.580300D+00 -0.148174D+02 -0.281392D+01
      3   0.830768D+02  0.419087D+02  0.690016D+01 -0.331096D+01  0.621803D+01
               306           307           308           309           310 
      1  -0.274329D+01  0.219056D+01 -0.171612D+01  0.379605D+01 -0.252874D+00
      2  -0.243681D+01 -0.136993D+03 -0.641831D+00  0.476265D+01  0.911983D+02
      3   0.757138D+01 -0.527675D+02 -0.459992D+02  0.452990D+01  0.689248D+02
               311           312           313           314           315 
      1  -0.208281D+01 -0.514942D+00 -0.552008D+01 -0.130683D+01 -0.109108D+02
      2  -0.393646D+01 -0.749772D+00  0.995937D+02  0.468059D+01 -0.102492D+02
      3   0.178829D+02  0.174714D+01 -0.609772D+01  0.259394D+02 -0.692836D+01
               316           317           318           319           320 
      1  -0.386331D+01  0.508115D+01 -0.298469D+01  0.499809D+01  0.363782D+01
      2   0.910427D+01  0.405930D+00  0.537296D+01 -0.137888D+02  0.267687D+00
      3  -0.627629D+01 -0.184926D+02 -0.842148D+00 -0.150814D+02 -0.167969D+02
               321           322           323           324           325 
      1  -0.428549D+01 -0.899714D+01 -0.144823D+00  0.531784D+00  0.148400D+00
      2   0.596697D+01  0.534905D+02  0.114810D+02  0.244338D+01  0.517669D+01
      3  -0.502927D+01 -0.124035D+02 -0.135536D+02 -0.485116D+01 -0.699085D+01
               326           327           328           329           330 
      1   0.512269D+00  0.750478D+01 -0.184003D+01 -0.150119D+01 -0.156751D+01
      2  -0.964790D+01 -0.191212D+02  0.575231D+01  0.827891D+01  0.594954D+01
      3   0.762673D+01  0.108003D+02  0.159776D+02 -0.528616D+01 -0.725562D+01
               331           332           333           334           335 
      1   0.612909D+01  0.282204D-01 -0.837875D+01 -0.229231D+01  0.353404D+01
      2  -0.246129D+02  0.739354D+01  0.258975D+02 -0.859850D+00 -0.603690D-02
      3  -0.324206D+01 -0.585854D+01 -0.129016D+02 -0.779074D+01 -0.994301D+01
               336           337           338           339           340 
      1  -0.152529D+01  0.698723D+01  0.885986D+00 -0.121230D+01  0.400798D+01
      2   0.109570D+02 -0.246366D+01  0.851632D+00 -0.747097D+00  0.156974D+02
      3   0.108789D+01 -0.251710D+02  0.425280D+01 -0.134747D+01 -0.366496D+02
               341           342           343           344           345 
      1   0.576574D+00 -0.180954D+01 -0.223421D+01 -0.274888D+01  0.153769D+01
      2   0.495517D+00  0.316964D+01  0.897294D+01  0.473959D+01 -0.115677D+02
      3   0.178899D+01  0.109548D+01  0.111566D+02  0.343041D+01 -0.464864D+01
               346           347           348           349           350 
      1  -0.133027D+01 -0.577289D+01  0.344892D+01 -0.338656D+01  0.553120D+01
      2  -0.429385D+01  0.104372D+02 -0.174391D+02 -0.203317D+01 -0.132633D+02
      3   0.107607D+02  0.114572D+02 -0.104046D+02  0.101779D+02 -0.914422D+01
               351           352           353           354           355 
      1  -0.646281D+01 -0.142929D+01  0.215880D+00  0.192398D+01  0.666773D+01
      2   0.347564D+02 -0.235672D+01  0.906517D+00  0.587453D+01 -0.193745D+01
      3   0.142090D+02  0.529940D+01 -0.110856D+02 -0.241019D+01 -0.228596D+02
               356           357           358           359           360 
      1  -0.126668D+01 -0.259846D+01 -0.711050D+01  0.177084D+01 -0.125617D+01
      2  -0.123533D+01 -0.400142D+01 -0.302436D+00 -0.417205D+01 -0.210286D+01
      3   0.299282D+02  0.264771D+01  0.375271D+02  0.293824D+01  0.431605D+01
               361           362           363           364           365 
      1   0.929415D+01  0.346844D+01  0.316502D+00  0.407301D+01  0.344710D+01
      2  -0.186556D+02 -0.551283D+01 -0.859802D+01 -0.112266D+02 -0.699607D+01
      3   0.622682D+01  0.562141D+01 -0.294348D+01  0.115053D+02  0.397072D+01
               366           367           368           369           370 
      1   0.760395D+00  0.119460D+01  0.233920D+01  0.109242D+01  0.187984D+01
      2  -0.267476D+01 -0.512038D+01 -0.207654D+01 -0.243165D+01 -0.684170D+01
      3   0.213710D+01 -0.181723D+02 -0.680567D+00  0.416161D+01 -0.110546D+02
               371           372           373           374           375 
      1  -0.660103D+00 -0.829004D+00 -0.174596D+01 -0.120307D+02  0.442117D+01
      2   0.147653D+01  0.691288D+00  0.438459D+00 -0.119157D+02  0.198036D+02
      3  -0.153431D+01 -0.109977D+01 -0.115788D+02 -0.167287D+02  0.131337D+02
               376           377           378           379           380 
      1   0.112173D+01  0.784837D+01 -0.446658D+01  0.777386D+01 -0.677199D+01
      2  -0.508487D+00  0.105861D+02 -0.207044D+02 -0.154486D+01  0.100801D+01
      3   0.639884D+01  0.895178D+01 -0.113589D+02  0.850760D+01 -0.997514D+01
               381           382           383           384           385 
      1  -0.514542D+01 -0.848463D+01  0.106054D+02  0.715591D+01 -0.534540D+01
      2   0.957364D+01  0.388494D+01 -0.600807D+01 -0.793938D+01  0.707395D+01
      3  -0.795123D+01 -0.214894D+01  0.153769D+02  0.121416D+02  0.354486D+01
               386           387           388           389           390 
      1   0.617091D+01  0.521041D+01 -0.503043D+01 -0.164382D+01 -0.347704D+01
      2  -0.258121D+01 -0.880290D+01  0.130656D+02  0.577468D+01  0.122790D+02
      3   0.895503D+01  0.697279D+01  0.100261D+02 -0.399249D+01 -0.186179D+01
               391           392           393           394           395 
      1  -0.283097D+01 -0.178908D+01 -0.407263D+01 -0.316542D+01 -0.165851D+01
      2   0.323137D+01  0.518087D+01  0.102885D+02  0.104103D+02  0.904382D+01
      3  -0.564782D+01 -0.767321D+01 -0.353185D+01 -0.909850D+01 -0.729297D+01
               396           397           398           399           400 
      1  -0.102007D+02  0.907527D+01 -0.291009D+01 -0.256556D+01 -0.406884D+01
      2   0.339955D+02 -0.218292D+02 -0.607662D+00  0.983490D+01 -0.155147D+02
      3  -0.566158D+01  0.141560D+01 -0.173812D+02 -0.899227D+01 -0.364502D+02
               401           402           403           404           405 
      1   0.480567D+01  0.179111D+01 -0.543821D+01  0.246564D+01  0.228738D+01
      2  -0.670436D+01 -0.581729D+01  0.787958D+01 -0.141614D+01 -0.659808D+01
      3   0.166479D+02  0.115723D+02 -0.409943D+01  0.954463D+01  0.647227D+01
               406           407           408           409           410 
      1   0.176556D+01 -0.240730D+00 -0.779108D+00 -0.566283D+00 -0.277910D+01
      2   0.431689D+00  0.433859D-01  0.250530D+01 -0.679412D+01 -0.161300D+02
      3  -0.122358D+02 -0.232465D+01  0.253875D+00 -0.221307D+02 -0.310232D+02
               411           412           413           414           415 
      1  -0.289898D+01 -0.247107D+01  0.111311D+01  0.267878D+01 -0.692234D+01
      2   0.168622D+02  0.976392D+01  0.154333D+02 -0.178041D+02  0.129780D+02
      3   0.172950D+02  0.142425D+02  0.190987D+02 -0.147150D+02 -0.110270D+02
               416           417           418           419           420 
      1   0.516339D+01  0.756932D+01  0.499591D+01 -0.736009D+01 -0.543635D+01
      2  -0.254148D+00 -0.294640D+01 -0.418208D+00  0.345197D+01  0.149590D+01
      3   0.197520D+02  0.832889D+01  0.349848D+01 -0.195726D+02 -0.709024D+01
               421           422           423           424           425 
      1   0.620446D+01 -0.546592D+01 -0.663517D+01 -0.383433D+01 -0.105313D+01
      2  -0.121976D+02  0.390859D+01  0.291905D+01  0.134064D+02  0.241568D+01
      3   0.785945D+01 -0.145358D+02 -0.104102D+02  0.140406D+02 -0.584052D+01
               426           427           428           429           430 
      1  -0.367972D+01  0.149552D+01 -0.264089D+01 -0.353633D+01 -0.391211D+01
      2   0.316496D+01 -0.598208D+01  0.154552D+01  0.298326D+01  0.813691D+01
      3   0.128689D+01 -0.247365D+02 -0.113700D+02 -0.105451D+01  0.898900D+01
               431           432           433           434           435 
      1  -0.202051D+01  0.153274D+01  0.457343D+01 -0.738985D+00  0.789659D+01
      2   0.389139D+01 -0.155901D+01 -0.147081D+02  0.136112D+01 -0.739137D+01
      3  -0.166925D+01 -0.169052D+01 -0.137437D+01  0.713239D+01 -0.659566D+01
               436           437           438           439           440 
      1   0.781958D+00  0.269721D+01 -0.179588D+00  0.222079D+01 -0.201150D+01
      2  -0.212973D+01 -0.234487D+01  0.999891D+00 -0.502352D+01  0.667132D+01
      3   0.167812D+01 -0.574680D+00  0.280379D+01  0.115967D+01  0.974662D+01
               441           442           443           444           445 
      1   0.234111D+02 -0.188751D+01  0.638086D+00 -0.840412D+00  0.172327D+01
      2  -0.205237D+02  0.686918D+01 -0.150972D+01  0.654148D+00 -0.444896D+00
      3  -0.146282D+02 -0.110327D+02 -0.149399D+01  0.112787D+01 -0.116145D+02
               446           447           448           449           450 
      1   0.120622D+02  0.442056D+01  0.110715D+01  0.785246D+01  0.446122D+01
      2   0.119300D+02  0.197993D+02 -0.522632D+00  0.105831D+02  0.206652D+02
      3  -0.167498D+02 -0.131467D+02 -0.639036D+01 -0.893371D+01 -0.113594D+02
               451           452           453           454           455 
      1  -0.929021D+01 -0.345606D+01  0.300846D+00 -0.408634D+01 -0.344371D+01
      2   0.186849D+02  0.547773D+01 -0.854627D+01  0.112358D+02  0.698429D+01
      3   0.623339D+01  0.565992D+01  0.296637D+01  0.117126D+02  0.395684D+01
               456           457           458           459           460 
      1   0.751812D+00  0.118059D+01  0.232856D+01 -0.109637D+01 -0.776081D+01
      2  -0.267715D+01 -0.512336D+01 -0.207584D+01  0.239522D+01  0.155892D+01
      3  -0.212682D+01  0.182123D+02  0.671119D+00  0.416741D+01  0.857152D+01
               461           462           463           464           465 
      1   0.676736D+01 -0.515698D+01  0.846540D+01 -0.105768D+02  0.716448D+01
      2  -0.103357D+01  0.958820D+01 -0.390691D+01  0.601964D+01 -0.794659D+01
      3  -0.993913D+01  0.794022D+01 -0.197688D+01  0.153143D+02 -0.121251D+02
               466           467           468           469           470 
      1  -0.536395D+01  0.618662D+01 -0.523347D+01 -0.175359D+01  0.250354D+00
      2   0.709140D+01 -0.259530D+01  0.885552D+01 -0.391774D+00 -0.546149D-01
      3  -0.369034D+01 -0.895868D+01  0.698174D+01 -0.122230D+02 -0.228939D+01
               471           472           473           474           475 
      1  -0.777892D+00  0.576851D+00  0.280579D+01 -0.288383D+01 -0.247147D+01
      2   0.250622D+01  0.681119D+01  0.161387D+02  0.168637D+02  0.979073D+01
      3  -0.251668D+00 -0.222025D+02 -0.310428D+02 -0.173177D+02 -0.142479D+02
               476           477           478           479           480 
      1   0.113097D+01 -0.266687D+01 -0.910123D+01  0.291966D+01 -0.257406D+01
      2   0.154249D+02  0.178038D+02  0.218701D+02  0.585097D+00  0.983943D+01
      3  -0.191036D+02 -0.147251D+02  0.988119D+00 -0.173377D+02  0.901103D+01
               481           482           483           484           485 
      1   0.408139D+01 -0.482631D+01  0.180841D+01 -0.546170D+01  0.248161D+01
      2   0.154485D+02  0.672492D+01 -0.584586D+01  0.794201D+01 -0.143503D+01
      3  -0.363822D+02  0.166604D+02 -0.116035D+02  0.401774D+01 -0.957911D+01
               486           487           488           489           490 
      1  -0.230329D+01  0.503979D+01  0.164269D+01 -0.348632D+01  0.283100D+01
      2   0.664465D+01 -0.131200D+02 -0.577400D+01  0.123245D+02 -0.324635D+01
      3   0.649682D+01  0.101136D+02 -0.401760D+01  0.186616D+01 -0.565981D+01
               491           492           493           494           495 
      1   0.178176D+01 -0.405831D+01 -0.316881D+01 -0.165166D+01  0.101785D+02
      2  -0.516024D+01  0.102558D+02  0.104330D+02  0.901222D+01 -0.339711D+02
      3  -0.766879D+01  0.351136D+01  0.915131D+01  0.727506D+01 -0.562901D+01
               496           497           498           499           500 
      1   0.228588D+01 -0.351998D+01 -0.152173D+01 -0.696459D+01 -0.857382D+00
      2   0.903135D+00  0.234463D-02  0.109538D+02  0.253980D+01 -0.850889D+00
      3  -0.797666D+01 -0.994586D+01 -0.108105D+01 -0.250198D+02  0.431363D+01
               501           502           503           504           505 
      1  -0.121421D+01  0.400338D+01  0.551023D+00  0.180493D+01  0.222990D+01
      2  -0.743846D+00  0.155726D+02  0.484758D+00 -0.314203D+01 -0.895418D+01
      3   0.134228D+01  0.366265D+02 -0.187519D+01  0.108787D+01  0.110245D+02
               506           507           508           509           510 
      1   0.273799D+01  0.152793D+01  0.132288D+01  0.576589D+01  0.344381D+01
      2  -0.473023D+01 -0.115442D+02  0.427425D+01 -0.104474D+02 -0.174485D+02
      3   0.341748D+01  0.463426D+01  0.109307D+02  0.114559D+02  0.104146D+02
               511           512           513           514           515 
      1  -0.338580D+01  0.553988D+01  0.644966D+01 -0.159584D+00 -0.516631D+00
      2  -0.198003D+01 -0.132784D+02 -0.347716D+02 -0.514854D+01  0.965817D+01
      3  -0.100792D+02  0.916621D+01  0.142172D+02 -0.678051D+01  0.761971D+01
               516           517           518           519           520 
      1   0.750212D+01  0.184635D+01  0.150198D+01 -0.157156D+01  0.612157D+01
      2  -0.191333D+02 -0.574767D+01 -0.828161D+01  0.596857D+01 -0.246230D+02
      3  -0.108056D+02  0.157856D+02 -0.528288D+01  0.726547D+01  0.341947D+01
               521           522           523           524           525 
      1   0.282709D-01  0.839802D+01  0.385780D+01 -0.508090D+01 -0.298271D+01
      2   0.739842D+01 -0.259708D+02 -0.916138D+01 -0.429080D+00  0.537898D+01
      3   0.584379D+01 -0.129407D+02 -0.658630D+01 -0.185499D+02  0.856685D+00
               526           527           528           529           530 
      1  -0.501047D+01 -0.364013D+01 -0.428079D+01 -0.898358D+01 -0.151912D+00
      2   0.138472D+02 -0.229035D+00  0.595805D+01  0.533959D+02  0.114973D+02
      3  -0.151334D+02 -0.167859D+02  0.503076D+01  0.130839D+02  0.135237D+02
               531           532           533           534           535 
      1  -0.533343D+00  0.140974D+01 -0.199921D+00  0.192501D+01 -0.668721D+01
      2  -0.244763D+01  0.243596D+01 -0.927065D+00  0.586822D+01  0.202620D+01
      3  -0.486125D+01  0.511068D+01 -0.110324D+02  0.242022D+01 -0.226686D+02
               536           537           538           539           540 
      1   0.126679D+01 -0.260029D+01 -0.711664D+01  0.178613D+01  0.126005D+01
      2   0.124877D+01 -0.400571D+01 -0.165768D+00 -0.418699D+01  0.212118D+01
      3   0.299561D+02 -0.266750D+01 -0.374183D+02 -0.291960D+01  0.432488D+01
               541           542           543           544           545 
      1   0.380819D+01  0.104003D+01 -0.368143D+01 -0.151633D+01  0.262830D+01
      2  -0.133565D+02 -0.240328D+01  0.316621D+01  0.600566D+01 -0.154335D+01
      3   0.139512D+02 -0.588941D+01 -0.128448D+01 -0.250418D+02 -0.113502D+02
               546           547           548           549           550 
      1  -0.353585D+01 -0.390817D+01 -0.202015D+01 -0.153683D+01  0.691866D+01
      2   0.298369D+01  0.813316D+01  0.389321D+01  0.156053D+01 -0.129845D+02
      3   0.106412D+01 -0.908256D+01  0.168365D+01 -0.170049D+01 -0.107944D+02
               551           552           553           554           555 
      1  -0.516871D+01  0.757597D+01 -0.498269D+01  0.737906D+01 -0.545762D+01
      2   0.279667D+00 -0.295645D+01  0.404002D+00 -0.348223D+01  0.151518D+01
      3   0.197407D+02 -0.835188D+01  0.368903D+01 -0.196081D+02  0.713572D+01
               556           557           558           559           560 
      1   0.620830D+01 -0.549261D+01  0.667105D+01 -0.458180D+01  0.741411D+00
      2  -0.122213D+02  0.393695D+01 -0.295145D+01  0.147076D+02 -0.136508D+01
      3  -0.792790D+01  0.145909D+02 -0.104560D+02 -0.124423D+01  0.716932D+01
               561           562           563           564           565 
      1   0.791699D+01 -0.785246D+00 -0.269682D+01 -0.197781D+00  0.224447D+01
      2  -0.740617D+01  0.213143D+01  0.234697D+01  0.101489D+01 -0.501643D+01
      3   0.662650D+01  0.164940D+01 -0.589830D+00 -0.281288D+01 -0.120768D+01
               566           567 
      1  -0.201648D+01 -0.233760D+02
      2   0.667341D+01  0.204918D+02
      3  -0.974304D+01 -0.146728D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112928D+03 -0.140367D+02  0.304477D+02 -0.160850D+02  0.270413D+02
      2   0.669726D+02  0.167062D+02 -0.107976D+02  0.876444D+01 -0.166557D+02
      3   0.459555D+02 -0.266951D+01 -0.196501D+02  0.732061D+01 -0.103856D+02
      4  -0.170726D+02  0.131349D+02  0.646878D+01  0.238126D+02 -0.963402D+01
      5   0.482835D+02  0.868081D+01  0.114317D+02 -0.216042D+01 -0.844160D+00
      6   0.468588D+00 -0.471178D+01 -0.213259D+01 -0.365011D+01  0.266707D+01
                 6             7             8             9            10 
      1   0.107730D+02  0.124603D+01  0.574849D+01  0.242048D+02 -0.204773D+02
      2   0.426396D+01  0.602093D+01  0.694205D+01 -0.810361D+01  0.152597D+02
      3  -0.150369D+02 -0.726696D+01 -0.126905D+02 -0.161012D+02  0.521753D+01
      4   0.410875D+01 -0.103372D+02 -0.334374D+01  0.317583D+02  0.118845D+02
      5   0.325624D+02  0.274255D+02  0.328944D+02 -0.201922D+01 -0.800373D+01
      6  -0.923756D-01  0.313687D+01  0.252384D+01 -0.112190D+02 -0.219001D+01
                11            12            13            14            15 
      1   0.672024D+01 -0.663395D+01  0.177689D+02 -0.420071D+02  0.100019D+02
      2   0.496784D+00  0.349200D+01 -0.927010D+00  0.243156D+02 -0.813220D+01
      3  -0.721702D+01  0.314195D+01 -0.168419D+02  0.176915D+02 -0.186970D+01
      4  -0.319702D+02  0.773021D+01 -0.674282D+02  0.366787D+01 -0.219792D+02
      5   0.116145D+02 -0.197345D+02  0.212892D+02 -0.190976D+02 -0.432291D+02
      6   0.282385D+01 -0.192383D+01  0.953163D+00 -0.736180D+00 -0.800318D+01
                16            17            18            19            20 
      1  -0.129784D+02  0.851706D+01 -0.332241D+02  0.104543D+03  0.571386D+02
      2   0.155035D+01 -0.814618D+01  0.229469D+02 -0.517855D+02 -0.447483D+02
      3   0.114280D+02 -0.370882D+00  0.102772D+02 -0.527571D+02 -0.123902D+02
      4   0.145260D+02 -0.127333D+02 -0.286873D+02  0.538919D+02  0.819036D+02
      5  -0.584044D+02 -0.331208D+02  0.420447D+01  0.101009D+01  0.234573D+01
      6  -0.725862D+01 -0.609611D+01  0.527258D+00  0.244766D+02 -0.504149D+01
                21            22            23            24            25 
      1   0.453157D-01  0.687210D+02  0.338871D+02 -0.210903D+01 -0.883642D+01
      2  -0.103923D+00 -0.385377D+02 -0.124117D+02  0.216192D+01  0.789954D+01
      3   0.586071D-01 -0.301833D+02 -0.214754D+02 -0.528892D-01  0.936886D+00
      4   0.691535D+01  0.538596D+02  0.729272D+02  0.123199D+02 -0.682687D+01
      5   0.148499D+02 -0.358355D+00  0.102016D+02  0.135240D+02  0.570431D+02
      6  -0.399005D+00  0.457917D+01  0.222110D+01  0.642967D+01  0.122978D+02
                26            27            28            29            30 
      1   0.295782D+01  0.177200D+02 -0.950862D+02  0.106508D+02  0.386470D+01
      2  -0.156908D+01 -0.187267D+02  0.743941D+01 -0.161556D+02 -0.487234D+01
      3  -0.138874D+01  0.100668D+01  0.876468D+02  0.550482D+01  0.100764D+01
      4   0.103460D+02  0.103883D+02 -0.120015D+03  0.193682D+02 -0.151305D-01
      5   0.163013D+02  0.643679D+01 -0.263107D+02 -0.777897D+01 -0.148861D+02
      6   0.841578D+01  0.903630D+00 -0.816115D+02 -0.108831D+02 -0.233990D+01
                31            32            33            34            35 
      1  -0.784788D+02  0.335512D+02 -0.444774D+01 -0.280472D+02 -0.713458D+01
      2   0.270454D+02 -0.404808D+02  0.441598D+01  0.113298D+02 -0.752070D+00
      3   0.514333D+02  0.692958D+01  0.317580D-01  0.167173D+02  0.788665D+01
      4  -0.415504D+02  0.262817D+02  0.427345D+01 -0.182027D+02  0.549938D+00
      5  -0.250414D+02 -0.534741D+01  0.371879D+01  0.350128D+02  0.190568D+02
      6   0.503975D+01 -0.139538D+02 -0.596869D+01  0.193161D+02  0.389004D+01
                36            37            38            39            40 
      1   0.564449D+01  0.343063D+01  0.138503D+02 -0.139195D+02  0.129650D+03
      2  -0.129039D+02  0.404247D+02  0.295296D+01  0.131951D+02 -0.526113D+02
      3   0.725936D+01 -0.438553D+02 -0.168033D+02  0.724411D+00 -0.770387D+02
      4   0.158227D+02  0.652605D+02  0.158942D+02  0.131578D+02  0.104084D+03
      5   0.691583D+01  0.276892D+01  0.226879D+02 -0.279456D+02  0.573712D+02
      6  -0.376228D+01  0.336906D+02  0.102819D+02 -0.679108D+01  0.246375D+02
                41            42            43            44            45 
      1   0.192836D+02  0.290377D+02 -0.492725D+01  0.283001D+02 -0.455391D+02
      2  -0.241863D+01 -0.229739D+02  0.505643D+01 -0.244481D+02  0.323242D+02
      3  -0.168649D+02 -0.606380D+01 -0.129189D+00 -0.385206D+01  0.132149D+02
      4   0.113879D+02 -0.110573D+02  0.314176D+02  0.905579D+01 -0.206475D+02
      5  -0.960479D+01  0.201068D+02 -0.859293D+02 -0.207155D+02  0.187436D+02
      6  -0.108580D+01  0.557707D+01 -0.411885D+02 -0.770780D+01  0.145980D+02
                46            47            48            49            50 
      1  -0.715198D+01 -0.234914D+02  0.264854D+02 -0.486018D+02 -0.405499D+02
      2  -0.103879D+02 -0.571137D+01 -0.515384D+01  0.112341D+02  0.176469D+02
      3   0.175399D+02  0.292027D+02 -0.213316D+02  0.373677D+02  0.229029D+02
      4  -0.488803D+02 -0.522024D+02  0.639800D+01 -0.760435D+02 -0.230181D+02
      5   0.257675D+02  0.667522D+01  0.194126D+02  0.218770D+02  0.289660D+02
      6   0.188876D+02  0.950357D+01  0.150734D+02  0.211397D+02  0.122866D+02
                51            52            53            54            55 
      1  -0.332352D+01 -0.375491D+01 -0.217282D+02  0.427624D+02 -0.201777D+02
      2   0.338847D+01  0.934557D+01  0.136877D+02 -0.281360D+02 -0.115055D+02
      3  -0.649518D-01 -0.559066D+01  0.804055D+01 -0.146264D+02  0.316832D+02
      4   0.222353D+02 -0.228221D+02 -0.767015D+01  0.939891D+01 -0.631517D+02
      5  -0.841348D+01  0.426200D+02  0.495697D+01 -0.244107D+02  0.132185D+02
      6  -0.886187D+01  0.207150D+02 -0.380742D+01 -0.515264D+01 -0.954295D+01
                56            57            58            59            60 
      1  -0.611848D+02  0.114847D+02 -0.125389D+03  0.418090D+01 -0.303455D+02
      2   0.374145D+02 -0.184482D+02  0.679575D+02 -0.118167D+02  0.162058D+02
      3   0.237704D+02  0.696349D+01  0.574313D+02  0.763584D+01  0.141396D+02
      4  -0.753542D+01 -0.142638D+02 -0.169803D+02  0.872368D+01  0.267314D+02
      5  -0.236141D+02  0.421020D+02 -0.541658D+02  0.266315D+02  0.236069D+02
      6  -0.204858D+01  0.389251D+01 -0.101491D+02  0.116941D+01  0.123727D+02
                61            62            63            64            65 
      1   0.610109D+02 -0.188762D+02  0.513912D+02  0.361989D+02  0.611936D+01
      2  -0.416081D+02  0.135228D+02 -0.226165D+02  0.140929D+02  0.949894D-01
      3  -0.194027D+02  0.535340D+01 -0.287747D+02 -0.502918D+02 -0.621435D+01
      4   0.571783D+01  0.307874D+02  0.331075D+02  0.731214D+02 -0.266445D+02
      5   0.688482D+02  0.254931D+02 -0.440201D+00  0.129570D+03  0.724070D+01
      6   0.147167D+02  0.106584D+02  0.452200D+01  0.152852D+03  0.116933D+02
                66            67            68            69            70 
      1   0.560218D+01  0.596639D+02 -0.106908D+02  0.358542D+01 -0.209842D+01
      2  -0.152505D+01 -0.303759D+02  0.168039D+02 -0.171910D+01 -0.449769D+00
      3  -0.407713D+01 -0.292879D+02 -0.611309D+01 -0.186632D+01  0.254818D+01
      4   0.251632D+01  0.139978D+03  0.314653D+02  0.634309D+01  0.215838D+02
      5   0.172172D+02  0.934319D+02  0.127235D+02  0.653527D+01  0.877366D+02
      6   0.470418D+00  0.495723D+02  0.711033D+01  0.823087D+01  0.669427D+02
                71            72            73            74            75 
      1   0.402428D+01 -0.241616D+01 -0.734508D+02  0.820115D+01  0.432747D-02
      2  -0.235267D+01  0.135332D+01 -0.167205D+02 -0.831834D+01 -0.247353D-02
      3  -0.167161D+01  0.106284D+01  0.901713D+02  0.117190D+00 -0.185394D-02
      4  -0.133054D+01  0.459536D+01 -0.273408D+02 -0.207252D+02  0.130588D-02
      5   0.861379D+01  0.143307D+01 -0.231749D+00  0.170182D-01 -0.231163D+02
      6   0.105631D+02  0.215387D+01 -0.657681D-01 -0.126556D-01 -0.502524D+01
                76            77            78            79            80 
      1  -0.116898D+03 -0.996627D+01  0.222475D-01 -0.939112D+00  0.522093D-01
      2   0.560030D+02  0.263454D+01 -0.711574D-02  0.674627D+00 -0.213321D-01
      3   0.608952D+02  0.733173D+01 -0.151317D-01  0.264485D+00 -0.308772D-01
      4  -0.301877D+03  0.326027D+01  0.677154D-01  0.279443D+00 -0.320412D-01
      5   0.372188D+00  0.591537D-01 -0.157993D+01 -0.146403D+03 -0.254428D+01
      6   0.605427D+00  0.284611D-02 -0.440041D+01 -0.859207D+02  0.315978D+00
                81            82            83            84            85 
      1  -0.278841D+02  0.644992D+02 -0.590946D+02 -0.115167D+02  0.606459D+02
      2  -0.323405D+01  0.487111D+01  0.530966D+02  0.762971D+01 -0.382409D+02
      3   0.311182D+02 -0.693703D+02  0.599801D+01  0.388701D+01 -0.224049D+02
      4  -0.947297D+00 -0.322460D+02 -0.925222D+01  0.236612D+01  0.109665D+03
      5   0.428362D-01  0.923653D+02  0.766448D+01  0.202467D+02 -0.619216D+02
      6   0.247062D-01  0.132196D+03  0.740088D+01  0.112986D+02 -0.637380D+02
                86            87            88            89            90 
      1  -0.156778D+02 -0.388777D+01  0.548578D+01  0.248786D+01 -0.996631D+01
      2   0.165083D+02  0.202076D+01 -0.984459D+00 -0.342218D+01  0.598973D+01
      3  -0.830509D+00  0.186701D+01 -0.450132D+01  0.934319D+00  0.397658D+01
      4  -0.396331D+01 -0.413988D+01  0.676369D+01  0.925065D+00 -0.140286D+01
      5  -0.930902D+01 -0.126624D+01  0.270443D+01 -0.280583D+01  0.536841D+00
      6   0.245064D+01  0.596620D+01 -0.153698D+02  0.823606D+01  0.283726D+01
                91            92            93            94            95 
      1  -0.511983D+02  0.154241D+02  0.925623D+01 -0.109647D+03 -0.931986D+02
      2  -0.110612D+02 -0.170097D+02 -0.510422D+01  0.987568D+02  0.686424D+02
      3   0.622595D+02  0.158554D+01 -0.415201D+01  0.108906D+02  0.245562D+02
      4   0.657578D+02 -0.345945D+02 -0.197356D+01 -0.163501D+03 -0.140260D+03
      5  -0.289824D+02 -0.549590D+01 -0.225915D+02 -0.504523D+02 -0.134160D+02
      6  -0.783343D+02 -0.331962D+01 -0.678329D+01 -0.141745D+02 -0.552849D+00
                96            97            98            99           100 
      1  -0.929118D+01 -0.481798D+01 -0.131502D+02 -0.244491D+02 -0.167300D+02
      2   0.757551D+01  0.488178D+01  0.646670D+01  0.122555D+02  0.291778D+02
      3   0.171567D+01 -0.637971D-01  0.668353D+01  0.121936D+02 -0.124478D+02
      4  -0.208271D+02 -0.413311D+02 -0.165582D+02 -0.289504D+02 -0.369958D+02
      5  -0.219480D+02 -0.122251D+02 -0.245607D+02 -0.104916D+02  0.153645D+01
      6  -0.160973D+01 -0.115647D+02  0.126041D+02  0.248191D+01  0.115381D+02
               101           102           103           104           105 
      1  -0.237684D+02 -0.506781D+00  0.254629D+02  0.477255D+02  0.111220D+02
      2   0.163931D+02 -0.211169D+01 -0.639473D+02 -0.402405D+02 -0.659417D+01
      3   0.737526D+01  0.261847D+01  0.384844D+02 -0.748503D+01 -0.452786D+01
      4  -0.371228D+02 -0.483719D+01  0.900099D+02  0.185983D+02  0.134551D+01
      5  -0.225929D+01 -0.156097D+02  0.215372D+02  0.685165D+00 -0.161573D+01
      6  -0.378518D+01  0.997583D+01 -0.194416D+02  0.297827D+01 -0.859420D+01
               106           107           108           109           110 
      1   0.423994D+00 -0.560461D+00 -0.390545D+01  0.208578D+02  0.108536D+02
      2  -0.961286D+01  0.512885D+01 -0.126836D+01 -0.127491D+02 -0.183560D+02
      3   0.918887D+01 -0.456839D+01  0.517381D+01 -0.810872D+01  0.750244D+01
      4   0.274174D+02 -0.126816D+02  0.159181D+02 -0.101191D+02  0.397538D+02
      5  -0.183410D+02  0.124335D+02 -0.815998D+00  0.185848D+02 -0.276865D+01
      6   0.112284D+02 -0.150498D+02  0.167877D+00 -0.113089D+02  0.319781D+01
               111           112           113           114           115 
      1   0.112680D+02  0.224165D+01 -0.183724D+02  0.233595D+01  0.840174D+01
      2  -0.601254D+01 -0.208983D+01  0.306097D+02 -0.712883D+01 -0.876805D+01
      3  -0.525543D+01 -0.151820D+00 -0.122373D+02  0.479288D+01  0.366305D+00
      4  -0.779238D+01  0.614669D+01 -0.391655D+02  0.903591D+01 -0.917211D+01
      5   0.121571D+02 -0.103526D+02  0.809633D+01 -0.597161D+01  0.243723D+02
      6  -0.838325D+01  0.462554D+01 -0.117641D+02  0.108356D+02 -0.158636D+02
               116           117           118           119           120 
      1   0.178796D+02  0.253814D+00  0.367637D+01 -0.315068D+02  0.658093D+01
      2  -0.228068D+02  0.940531D+00 -0.359397D+02  0.509447D+01 -0.205365D+02
      3   0.492712D+01 -0.119434D+01  0.322634D+02  0.264123D+02  0.139556D+02
      4   0.357694D+02 -0.179106D+02 -0.538190D+02 -0.439369D+02 -0.832533D+01
      5  -0.138317D+02  0.291915D+02 -0.472785D+01 -0.164873D+02  0.211981D+02
      6   0.196494D+02 -0.275426D+02 -0.657035D+01 -0.154621D+02  0.175677D+02
               121           122           123           124           125 
      1  -0.257267D+02 -0.194665D+02 -0.218496D+02  0.770799D+01 -0.208800D+02
      2   0.307890D+01  0.530037D+01  0.215545D+02 -0.156091D+02  0.270277D+02
      3   0.226478D+02  0.141662D+02  0.295078D+00  0.790106D+01 -0.614771D+01
      4  -0.463053D+02 -0.147283D+02  0.160445D+01 -0.951989D+01  0.158186D+01
      5  -0.169727D+02  0.738129D+01 -0.513470D+01  0.193909D+02 -0.370876D+01
      6  -0.123062D+02  0.136464D+02 -0.100498D+01  0.164842D+02 -0.496274D+01
               126           127           128           129           130 
      1   0.332600D+02  0.652731D+01  0.604743D+02 -0.776948D+01  0.124599D+03
      2  -0.111619D+02  0.100491D+02 -0.368779D+02  0.131524D+02 -0.751012D+02
      3  -0.220981D+02 -0.165764D+02 -0.235964D+02 -0.538293D+01 -0.494978D+02
      4   0.115604D+02  0.648574D+02 -0.753556D-01  0.222307D+02 -0.167365D+02
      5  -0.183217D+02 -0.111461D+02  0.270251D+02 -0.314885D+02  0.471065D+02
      6  -0.234889D+02  0.102738D+02  0.844003D+00 -0.250160D+01 -0.206610D+01
               131           132           133           134           135 
      1  -0.132324D+02  0.421637D+02 -0.214036D+02  0.290745D+02 -0.418174D+02
      2   0.807741D+01 -0.253998D+02  0.190488D+02 -0.175379D+02  0.100651D+02
      3   0.515501D+01 -0.167638D+02  0.235475D+01 -0.115366D+02  0.317523D+02
      4  -0.223517D+02 -0.337845D+02  0.968933D+01 -0.334020D+02 -0.423666D+02
      5  -0.366321D+02 -0.267762D+02 -0.532462D+02 -0.339028D+02  0.111978D+02
      6  -0.125693D+02 -0.184415D+02 -0.119081D+02 -0.182264D+02 -0.320380D+01
               136           137           138           139           140 
      1   0.362444D+02  0.355995D+02 -0.734452D+01  0.490151D+02  0.479294D+00
      2  -0.874844D+01 -0.257459D+02  0.126030D+02 -0.326441D+02  0.137140D+02
      3  -0.274960D+02 -0.985361D+01 -0.525852D+01 -0.163710D+02 -0.141933D+02
      4   0.410998D+02 -0.490885D+01  0.183509D+02 -0.182425D+02 -0.656492D+01
      5  -0.733092D+00  0.315861D+02 -0.286185D+02  0.330745D+02 -0.409617D+02
      6   0.164853D+02 -0.511694D+01  0.564610D+01 -0.152598D+02 -0.919507D+01
               141           142           143           144           145 
      1   0.316835D+02 -0.627759D+01  0.250326D+02 -0.265310D+02  0.375840D+02
      2  -0.115886D+02  0.148781D+02 -0.686838D+01  0.516123D+01  0.137591D+02
      3  -0.200949D+02 -0.860047D+01 -0.181642D+02  0.213698D+02 -0.513431D+02
      4  -0.372541D+02  0.124691D+02 -0.252096D+02 -0.196609D+02  0.741888D+02
      5  -0.104035D+02 -0.318705D+02 -0.126948D+02 -0.170668D+01 -0.129635D+03
      6  -0.298207D+02  0.132786D+01 -0.203104D+02 -0.107197D+02 -0.152639D+03
               146           147           148           149           150 
      1   0.564868D+01 -0.563978D+01  0.608533D+02 -0.108939D+02 -0.358336D+01
      2   0.358834D+00  0.151827D+01 -0.308643D+02  0.168950D+02  0.171611D+01
      3  -0.600751D+01  0.412151D+01 -0.299891D+02 -0.600114D+01  0.186725D+01
      4  -0.266139D+02 -0.252490D+01  0.140729D+03  0.313934D+02 -0.640225D+01
      5  -0.731048D+01  0.172402D+02 -0.938118D+02 -0.127525D+02  0.656037D+01
      6  -0.117188D+02  0.534625D+00 -0.502867D+02 -0.716915D+01  0.826801D+01
               151           152           153           154           155 
      1   0.262077D+01 -0.400073D+01 -0.242088D+01 -0.952012D+02  0.107927D+02
      2   0.616735D-01  0.235047D+01  0.134979D+01  0.728794D+01 -0.162449D+02
      3  -0.268245D+01  0.165027D+01  0.107109D+01  0.879133D+02  0.545224D+01
      4  -0.219852D+02  0.131669D+01  0.460961D+01 -0.120221D+03  0.193122D+02
      5   0.879445D+02  0.863778D+01 -0.146539D+01  0.266006D+02  0.781970D+01
      6   0.671944D+02  0.105725D+02 -0.220544D+01  0.819590D+02  0.109025D+02
               156           157           158           159           160 
      1  -0.381712D+01 -0.783406D+02  0.333264D+02  0.449600D+01  0.278787D+02
      2   0.487544D+01  0.270800D+02 -0.403734D+02 -0.444703D+01 -0.112596D+02
      3  -0.105832D+01  0.512606D+02  0.704705D+01 -0.489724D-01 -0.166191D+02
      4   0.469036D-01 -0.414537D+02  0.264032D+02 -0.422354D+01  0.183731D+02
      5  -0.148941D+02  0.251820D+02  0.531882D+01  0.372347D+01  0.350401D+02
      6  -0.235235D+01 -0.462473D+01  0.139479D+02 -0.595251D+01  0.193327D+02
               161           162           163           164           165 
      1   0.716747D+01  0.562899D+01  0.347405D+01  0.138645D+02  0.139685D+02
      2   0.745051D+00 -0.128906D+02  0.404365D+02  0.295475D+01 -0.132193D+02
      3  -0.791252D+01  0.726164D+01 -0.439105D+02 -0.168192D+02 -0.749168D+00
      4  -0.555165D+00  0.158496D+02  0.654351D+02  0.159063D+02 -0.131428D+02
      5   0.190977D+02 -0.695378D+01 -0.267571D+01 -0.226596D+02 -0.278713D+02
      6   0.391089D+01  0.375747D+01 -0.337008D+02 -0.102810D+02 -0.675654D+01
               166           167           168           169           170 
      1   0.129606D+03  0.192625D+02 -0.290326D+02  0.474285D+01 -0.282719D+02
      2  -0.525102D+02 -0.238307D+01  0.229474D+02 -0.491197D+01  0.244385D+02
      3  -0.770955D+02 -0.168794D+02  0.608519D+01  0.169123D+00  0.383338D+01
      4   0.104179D+03  0.113796D+02  0.110146D+02 -0.315465D+02 -0.914082D+01
      5  -0.574045D+02  0.957402D+01  0.200031D+02 -0.858156D+02 -0.207750D+02
      6  -0.247852D+02  0.107069D+01  0.555264D+01 -0.412118D+02 -0.776557D+01
               171           172           173           174           175 
      1  -0.453932D+02 -0.199199D+02 -0.612550D+02 -0.116557D+02 -0.125370D+03
      2   0.322066D+02 -0.116815D+02  0.374302D+02  0.184924D+02  0.678994D+02
      3   0.131866D+02  0.316014D+02  0.238248D+02 -0.683678D+01  0.574711D+02
      4  -0.207026D+02 -0.631497D+02 -0.755372D+01  0.141771D+02 -0.169474D+02
      5  -0.188764D+02 -0.134076D+02  0.235365D+02  0.420391D+02  0.539824D+02
      6  -0.146580D+02  0.952977D+01  0.202680D+01  0.389141D+01  0.101405D+02
               176           177           178           179           180 
      1   0.415887D+01  0.302076D+02 -0.611172D+02  0.187917D+02  0.512738D+02
      2  -0.117868D+02 -0.160897D+02  0.415906D+02 -0.134547D+02 -0.224829D+02
      3   0.762797D+01 -0.141179D+02  0.195267D+02 -0.533701D+01 -0.287909D+02
      4   0.873390D+01 -0.267004D+02 -0.581213D+01 -0.307611D+02  0.331909D+02
      5  -0.265938D+02  0.237692D+02  0.687014D+02  0.255887D+02  0.626855D+00
      6  -0.115403D+01  0.123856D+02  0.147229D+02  0.106678D+02 -0.449918D+01
               181           182           183           184           185 
      1  -0.204605D+02  0.683467D+01  0.671446D+01  0.179234D+02 -0.420010D+02
      2   0.152313D+02  0.433891D+00 -0.353912D+01 -0.102329D+01  0.243213D+02
      3   0.522921D+01 -0.726856D+01 -0.317534D+01 -0.169001D+02  0.176797D+02
      4   0.120091D+02 -0.319792D+02 -0.769288D+01 -0.674487D+02  0.358787D+01
      5   0.811094D+01 -0.115780D+02 -0.196746D+02 -0.211917D+02  0.189966D+02
      6   0.220477D+01 -0.282430D+01 -0.192034D+01 -0.934908D+00  0.740777D+00
               186           187           188           189           190 
      1  -0.992308D+01  0.131470D+02 -0.850279D+01 -0.331716D+02  0.104152D+03
      2   0.810470D+01 -0.163772D+01  0.816857D+01  0.229200D+02 -0.515351D+02
      3   0.181838D+01 -0.115093D+02  0.334218D+00  0.102516D+02 -0.526167D+02
      4   0.219014D+02 -0.145268D+02  0.126282D+02 -0.287285D+02  0.537907D+02
      5  -0.432754D+02 -0.583426D+02 -0.331707D+02 -0.428244D+01 -0.105618D+01
      6  -0.800979D+01 -0.725021D+01 -0.609684D+01 -0.553270D+00 -0.245231D+02
               191           192           193           194           195 
      1   0.570233D+02 -0.488415D-01  0.683944D+02  0.339407D+02  0.210239D+01
      2  -0.446963D+02  0.108476D+00 -0.384376D+02 -0.124518D+02 -0.215695D+01
      3  -0.123269D+02 -0.596344D-01 -0.299568D+02 -0.214889D+02  0.545577D-01
      4   0.819630D+02 -0.689841D+01  0.538528D+02  0.730056D+02 -0.123254D+02
      5  -0.232982D+01  0.148547D+02  0.465871D+00 -0.101255D+02  0.135339D+02
      6   0.502191D+01 -0.392778D+00 -0.466674D+01 -0.221764D+01  0.643753D+01
               196           197           198           199           200 
      1   0.901000D+01 -0.287061D+01  0.177278D+02 -0.112748D+03 -0.141323D+02
      2  -0.796051D+01  0.149111D+01 -0.187281D+02  0.669263D+02  0.167954D+02
      3  -0.104949D+01  0.137950D+01  0.100024D+01  0.458214D+02 -0.266317D+01
      4   0.696452D+01 -0.102216D+02  0.103899D+02 -0.172344D+02  0.130836D+02
      5   0.570819D+02  0.163083D+02 -0.644319D+01 -0.485073D+02 -0.877232D+01
      6   0.122718D+02  0.843285D+01 -0.903177D+00 -0.500647D+00  0.471216D+01
               201           202           203           204           205 
      1  -0.306172D+02 -0.162080D+02  0.270176D+02 -0.108680D+02 -0.153300D+01
      2   0.108948D+02  0.886818D+01 -0.166523D+02 -0.421634D+01 -0.586197D+01
      3   0.197224D+02  0.733985D+01 -0.103653D+02  0.150844D+02  0.739497D+01
      4  -0.654130D+01  0.238150D+02 -0.958245D+01 -0.406139D+01  0.102711D+02
      5   0.113147D+02  0.206696D+01  0.906566D+00  0.325290D+02  0.273051D+02
      6  -0.215079D+01  0.365497D+01 -0.265935D+01 -0.698900D-01  0.311839D+01
               206           207           208           209           210 
      1  -0.583280D+01  0.241175D+02 -0.712894D+01 -0.234414D+02 -0.265258D+02
      2  -0.689626D+01 -0.806999D+01 -0.103732D+02 -0.574823D+01  0.520021D+01
      3   0.127291D+02 -0.160475D+02  0.175021D+02  0.291896D+02  0.213256D+02
      4   0.339727D+01  0.317446D+02 -0.489145D+02 -0.522419D+02 -0.644448D+01
      5   0.328678D+02  0.207761D+01 -0.258263D+02 -0.669783D+01  0.193068D+02
      6   0.254252D+01  0.112255D+02 -0.189255D+02 -0.952950D+01  0.150416D+02
               211           212           213           214           215 
      1  -0.485991D+02 -0.405084D+02  0.334434D+01  0.363994D+01  0.216942D+02
      2   0.112064D+02  0.176001D+02 -0.342707D+01 -0.928790D+01 -0.137107D+02
      3   0.373927D+02  0.229084D+02  0.827288D-01  0.564797D+01 -0.798352D+01
      4  -0.761377D+02 -0.231233D+02 -0.222778D+02  0.227629D+02  0.763033D+01
      5  -0.218946D+02 -0.290076D+02 -0.836721D+01  0.424996D+02  0.499321D+01
      6  -0.211623D+02 -0.123426D+02 -0.886104D+01  0.206843D+02 -0.379785D+01
               216           217           218           219           220 
      1   0.426159D+02  0.363167D+02  0.357217D+02  0.746215D+01  0.491342D+02
      2  -0.280895D+02 -0.875441D+01 -0.257569D+02 -0.125964D+02 -0.326303D+02
      3  -0.145263D+02 -0.275623D+02 -0.996486D+01  0.513421D+01 -0.165039D+02
      4   0.943368D+01  0.411517D+02 -0.501454D+01 -0.182343D+02 -0.184074D+02
      5   0.245101D+02  0.816622D+00 -0.314993D+02 -0.285847D+02 -0.329375D+02
      6   0.523714D+01 -0.164582D+02  0.520283D+01  0.557734D+01  0.153631D+02
               221           222           223           224           225 
      1   0.282621D+00 -0.315984D+02  0.642600D+01 -0.249478D+02 -0.264610D+02
      2   0.138242D+02  0.114556D+02 -0.148903D+02  0.675595D+01  0.509826D+01
      3  -0.141068D+02  0.201428D+02  0.846433D+01  0.181918D+02  0.213628D+02
      4  -0.647866D+01  0.372949D+02 -0.123287D+02  0.252184D+02 -0.198061D+02
      5   0.410486D+02 -0.106303D+02 -0.318435D+02 -0.128899D+02  0.160892D+01
      6   0.913098D+01 -0.298227D+02  0.125622D+01 -0.203119D+02  0.107897D+02
               226           227           228           229           230 
      1   0.624658D+01  0.606053D+02  0.796096D+01  0.124756D+03 -0.132212D+02
      2   0.102501D+02 -0.369208D+02 -0.132074D+02 -0.751454D+02  0.804438D+01
      3  -0.164967D+02 -0.236845D+02  0.524648D+01 -0.496107D+02  0.517680D+01
      4   0.649426D+02 -0.340748D-01 -0.221095D+02 -0.166773D+02 -0.223580D+02
      5   0.113486D+02 -0.269276D+02 -0.314105D+02 -0.469322D+02  0.365437D+02
      6  -0.102172D+02 -0.834618D+00 -0.251546D+01  0.205021D+01  0.125560D+02
               231           232           233           234           235 
      1  -0.420213D+02  0.215414D+02 -0.289472D+02 -0.416632D+02  0.382759D+01
      2   0.252977D+02 -0.190572D+02  0.174579D+02  0.993604D+01 -0.360579D+02
      3   0.167236D+02 -0.248422D+01  0.114894D+02  0.317271D+02  0.322304D+02
      4   0.336996D+02 -0.954361D+01  0.333554D+02 -0.424953D+02 -0.537160D+02
      5  -0.269499D+02 -0.531190D+02 -0.340547D+02 -0.113412D+02  0.465281D+01
      6  -0.184394D+02 -0.119422D+02 -0.182424D+02  0.318827D+01  0.652243D+01
               236           237           238           239           240 
      1  -0.314639D+02 -0.664173D+01 -0.257226D+02 -0.194683D+02  0.218321D+02
      2   0.505234D+01  0.205557D+02  0.303203D+01  0.524805D+01 -0.215152D+02
      3   0.264116D+02 -0.139140D+02  0.226906D+02  0.142203D+02 -0.316890D+00
      4  -0.439669D+02  0.825147D+01 -0.463798D+02 -0.147899D+02 -0.159638D+01
      5   0.164708D+02  0.211587D+02  0.169858D+02 -0.735967D+01 -0.507047D+01
      6   0.154453D+02  0.175042D+02  0.123149D+02 -0.136265D+02 -0.929898D+00
               241           242           243           244           245 
      1  -0.777389D+01  0.208304D+02  0.331797D+02 -0.506645D+02  0.156559D+02
      2   0.156166D+02 -0.269907D+02 -0.110079D+02 -0.112745D+02 -0.171839D+02
      3  -0.784275D+01  0.616031D+01 -0.221718D+02  0.619390D+02  0.152796D+01
      4   0.943726D+01 -0.158583D+01  0.115764D+02  0.655937D+02 -0.346102D+02
      5   0.193581D+02 -0.365651D+01  0.184228D+02  0.289338D+02  0.544644D+01
      6   0.164389D+02 -0.487716D+01  0.235714D+02  0.783433D+02  0.334026D+01
               246           247           248           249           250 
      1  -0.923708D+01 -0.109439D+03 -0.930099D+02  0.928138D+01  0.455162D+01
      2   0.510187D+01  0.985612D+02  0.685569D+02 -0.757611D+01 -0.471821D+01
      3   0.413522D+01  0.108781D+02  0.244530D+02 -0.170528D+01  0.166598D+00
      4   0.195827D+01 -0.163397D+03 -0.140406D+03  0.208435D+02  0.414385D+02
      5  -0.225924D+02  0.503995D+02  0.133963D+02 -0.219706D+02 -0.122123D+02
      6  -0.680862D+01  0.145124D+02  0.563190D+00 -0.163107D+01 -0.116652D+02
               251           252           253           254           255 
      1   0.131776D+02 -0.244296D+02 -0.165900D+02 -0.237866D+02  0.507587D+00
      2  -0.648191D+01  0.122519D+02  0.290981D+02  0.164115D+02  0.211147D+01
      3  -0.669567D+01  0.121778D+02 -0.125081D+02  0.737507D+01 -0.261906D+01
      4   0.165671D+02 -0.289603D+02 -0.368642D+02 -0.371585D+02  0.483064D+01
      5  -0.245700D+02  0.104874D+02 -0.155093D+01  0.225129D+01 -0.156127D+02
      6   0.125982D+02 -0.246474D+01 -0.115821D+02  0.379436D+01  0.998693D+01
               256           257           258           259           260 
      1   0.253461D+02  0.477265D+02 -0.111192D+02 -0.507584D+00  0.491325D+00
      2  -0.638251D+02 -0.402591D+02  0.660037D+01  0.966857D+01 -0.508503D+01
      3   0.384790D+02 -0.746736D+01  0.451884D+01 -0.916099D+01  0.459371D+01
      4   0.898305D+02  0.186277D+02 -0.134783D+01 -0.274084D+02  0.126445D+02
      5  -0.215180D+02 -0.682358D+00 -0.162013D+01 -0.183657D+02  0.124383D+02
      6   0.194151D+02 -0.296558D+01 -0.859163D+01  0.112462D+02 -0.150428D+02
               261           262           263           264           265 
      1  -0.391674D+01  0.208843D+02  0.108447D+02 -0.112752D+02  0.220686D+01
      2  -0.125654D+01 -0.127541D+02 -0.183653D+02  0.601616D+01 -0.208221D+01
      3   0.517328D+01 -0.813015D+01  0.752064D+01  0.525902D+01 -0.124652D+00
      4   0.159281D+02 -0.101728D+02  0.398040D+02  0.779836D+01  0.618245D+01
      5   0.797188D+00 -0.185839D+02  0.277329D+01  0.121668D+02  0.103383D+02
      6  -0.153645D+00  0.113105D+02 -0.320389D+01 -0.839175D+01 -0.462438D+01
               266           267           268           269           270 
      1  -0.183570D+02 -0.233680D+01 -0.841703D+01 -0.178457D+02  0.268531D+00
      2   0.306046D+02  0.712853D+01  0.876630D+01  0.227876D+02  0.933666D+00
      3  -0.122476D+02 -0.479173D+01 -0.349275D+00 -0.494197D+01 -0.120220D+01
      4  -0.391922D+02 -0.904048D+01  0.918869D+01 -0.357787D+02 -0.179218D+02
      5  -0.810154D+01 -0.597287D+01  0.243685D+02 -0.138405D+02 -0.291948D+02
      6   0.117612D+02  0.108351D+02 -0.158696D+02  0.196478D+02  0.275333D+02
               271           272           273           274           275 
      1   0.649028D+02 -0.594921D+02  0.114562D+02  0.599504D+02 -0.154848D+02
      2   0.459013D+01  0.533687D+02 -0.760836D+01 -0.377734D+02  0.164049D+02
      3  -0.694930D+02  0.612338D+01 -0.384785D+01 -0.221770D+02 -0.920134D+00
      4  -0.313830D+02 -0.923086D+01 -0.237019D+01  0.108631D+03 -0.394975D+01
      5  -0.923257D+02 -0.760779D+01  0.202802D+02  0.618093D+02  0.927202D+01
      6  -0.132638D+03 -0.738133D+01  0.113648D+02  0.632743D+02 -0.240205D+01
               276           277           278           279           280 
      1   0.386079D+01 -0.455280D+01 -0.261166D+01 -0.996521D+01  0.358688D+02
      2  -0.200707D+01  0.398786D+00  0.347019D+01  0.599624D+01 -0.287381D+02
      3  -0.185372D+01  0.415401D+01 -0.858524D+00  0.396896D+01 -0.713075D+01
      4   0.410294D+01 -0.686677D+01 -0.905097D+00 -0.140136D+01 -0.176525D+02
      5  -0.127787D+01  0.280904D+01 -0.278861D+01 -0.538759D+00  0.159886D+02
      6   0.592724D+01 -0.151834D+02  0.824304D+01 -0.282365D+01 -0.141648D+02
               281           282           283           284           285 
      1   0.158374D+02  0.730336D+01  0.241167D+01 -0.515249D+01  0.579635D+01
      2  -0.200103D+02 -0.487380D+01 -0.334588D+01  0.103602D+02 -0.775233D+01
      3   0.417293D+01 -0.242956D+01  0.934209D+00 -0.520772D+01  0.195599D+01
      4   0.396085D+02 -0.172185D+02  0.144040D+02 -0.195842D+02  0.104216D+02
      5  -0.106122D+02  0.200872D+02  0.163563D+01  0.105101D+02 -0.211969D+01
      6   0.774185D+01 -0.111841D+02  0.570508D+01 -0.897080D+01  0.776495D+01
               286           287           288           289           290 
      1   0.112810D+02  0.115077D+02  0.419794D+00 -0.171650D+02 -0.227957D+02
      2  -0.175184D+02 -0.102688D+02 -0.869498D+01  0.208898D+02  0.240452D+02
      3   0.623744D+01 -0.123893D+01  0.827519D+01 -0.372475D+01 -0.124951D+01
      4  -0.104652D+02  0.223660D+02 -0.190036D+02  0.141079D+01  0.970438D+01
      5   0.201509D+02 -0.135280D+02  0.328838D+02 -0.131781D+01 -0.124422D+01
      6  -0.176094D+02  0.146778D+02 -0.255314D+02 -0.681729D+01 -0.511341D+01
               291           292           293           294           295 
      1   0.584478D+01 -0.561409D+01 -0.489819D+02  0.890817D+01  0.142792D+01
      2  -0.373501D+01  0.172839D+02  0.644639D+02 -0.828657D+01 -0.280988D+01
      3  -0.210977D+01 -0.116698D+02 -0.154820D+02 -0.621606D+00  0.138196D+01
      4  -0.203892D+01  0.742042D+00 -0.176654D+02  0.356060D+01  0.172626D+00
      5  -0.656899D-01  0.750291D+00  0.313803D+01 -0.283048D+01  0.443751D+00
      6   0.717523D+01 -0.427917D+01 -0.122357D+02  0.138182D+02  0.384209D+01
               296           297           298           299           300 
      1   0.805051D+01 -0.152930D+02 -0.171474D+02 -0.227839D+02 -0.584841D+01
      2  -0.588851D+01  0.123287D+02  0.208881D+02  0.240341D+02  0.373694D+01
      3  -0.216200D+01  0.296429D+01 -0.374074D+01 -0.125025D+01  0.211147D+01
      4   0.283128D+00 -0.241215D+01  0.140922D+01  0.970291D+01  0.203943D+01
      5  -0.640081D+01  0.323289D+01  0.132244D+01  0.124264D+01 -0.642067D-01
      6   0.172115D+02 -0.988353D+01  0.682973D+01  0.511448D+01  0.717834D+01
               301           302           303           304           305 
      1  -0.561166D+01 -0.489570D+02 -0.891415D+01 -0.142503D+01 -0.804963D+01
      2   0.172926D+02  0.644242D+02  0.828986D+01  0.281073D+01  0.588741D+01
      3  -0.116810D+02 -0.154673D+02  0.624287D+00 -0.138570D+01  0.216222D+01
      4   0.716687D+00 -0.176398D+02 -0.355955D+01 -0.177047D+00 -0.279842D+00
      5  -0.757400D+00 -0.313891D+01 -0.282740D+01  0.444110D+00 -0.639532D+01
      6   0.427569D+01  0.122354D+02  0.138153D+02  0.384813D+01  0.172083D+02
               306           307           308           309           310 
      1  -0.152936D+02  0.359092D+02  0.158641D+02 -0.729526D+01  0.239723D+01
      2   0.123248D+02 -0.287624D+02 -0.200260D+02  0.486694D+01 -0.333430D+01
      3   0.296880D+01 -0.714672D+01  0.416191D+01  0.242832D+01  0.937070D+00
      4  -0.240677D+01 -0.176557D+02  0.396174D+02  0.172254D+02  0.144264D+02
      5  -0.323265D+01 -0.159804D+02  0.106193D+02  0.200847D+02 -0.162914D+01
      6   0.988877D+01  0.141688D+02 -0.774780D+01 -0.111885D+02 -0.571156D+01
               311           312           313           314           315 
      1  -0.517731D+01 -0.579377D+01 -0.112763D+02 -0.115154D+02  0.416567D+00
      2   0.103878D+02  0.774916D+01  0.175064D+02  0.102699D+02 -0.868457D+01
      3  -0.521046D+01 -0.195540D+01 -0.623011D+01  0.124553D+01  0.826800D+01
      4  -0.196123D+02 -0.104283D+02  0.104816D+02 -0.223530D+02 -0.190076D+02
      5  -0.105140D+02 -0.212936D+01  0.201430D+02 -0.135312D+02 -0.328623D+02
      6   0.897379D+01  0.777246D+01 -0.176061D+02  0.146819D+02  0.255255D+02
               316           317           318           319           320 
      1   0.465414D+02  0.263942D+02  0.938087D+01  0.320620D+02  0.198387D+02
      2  -0.150889D+02 -0.991539D+00 -0.381855D+01 -0.751336D+00  0.125430D+02
      3  -0.314525D+02 -0.254027D+02 -0.556232D+01 -0.313107D+02 -0.323817D+02
      4   0.577193D+02  0.540773D+02  0.148040D+02  0.690134D+02  0.748339D+02
      5   0.255164D+02  0.174104D+02  0.166633D+02  0.270580D+02  0.270761D+02
      6   0.155503D+02  0.142481D+02  0.793152D+01  0.213524D+02  0.240110D+02
               321           322           323           324           325 
      1   0.409726D+01 -0.587754D+01 -0.280265D+01  0.452182D+00 -0.193986D+02
      2   0.726422D+00  0.131552D+01 -0.142247D+00  0.126525D+01  0.969807D+01
      3  -0.482368D+01  0.456202D+01  0.294489D+01 -0.171743D+01  0.970057D+01
      4   0.229386D+02 -0.709468D+00  0.772229D+01  0.120566D+02  0.284686D+01
      5   0.182146D+02  0.869295D+01  0.117480D+02  0.717898D+01  0.450514D+01
      6   0.141597D+02  0.430456D+01  0.914550D+01  0.619633D+01  0.807249D+01
               326           327           328           329           330 
      1   0.187656D+02  0.304922D+02  0.696131D+01 -0.949686D+01 -0.109334D+02
      2  -0.925575D+01 -0.764827D+01 -0.254432D+01  0.648435D+01  0.732353D+01
      3  -0.950988D+01 -0.228439D+02 -0.441698D+01  0.301251D+01  0.360990D+01
      4  -0.317455D+00 -0.196909D+01  0.698104D+01  0.988768D+01  0.886907D+01
      5  -0.547706D+01 -0.182849D+02  0.750337D+00  0.956354D+01  0.683750D+01
      6  -0.914607D+01 -0.176279D+02 -0.326921D+00  0.106411D+02  0.114242D+02
               331           332           333           334           335 
      1   0.117425D+02 -0.163863D+02 -0.361733D+02  0.176975D+03  0.289780D+01
      2  -0.268548D+01  0.689140D+01  0.426040D+01 -0.105685D+03 -0.139802D+01
      3  -0.905701D+01  0.949485D+01  0.319129D+02 -0.712902D+02 -0.149978D+01
      4   0.106416D+01  0.807592D+01  0.599517D+01  0.902498D+01  0.142713D+02
      5  -0.114342D+00  0.111223D+02  0.288785D+02  0.748437D+02  0.910066D+00
      6  -0.423839D+01  0.145558D+02  0.235338D+02  0.189175D+01  0.329706D+01
               336           337           338           339           340 
      1   0.399509D+02  0.361866D+01  0.114228D+02 -0.254420D+00  0.257089D+02
      2  -0.285585D+02 -0.168940D+01 -0.537239D+01  0.892256D+00 -0.208429D+02
      3  -0.113924D+02 -0.192926D+01 -0.605039D+01 -0.637836D+00 -0.486599D+01
      4   0.647168D+00  0.188544D+02  0.679196D+00  0.587785D+01 -0.317446D+00
      5   0.367933D+02 -0.606535D+00  0.667138D+01 -0.918924D+00  0.299499D+02
      6   0.209776D+01  0.446275D+01  0.106868D+01  0.323897D+01  0.261146D+01
               341           342           343           344           345 
      1   0.101632D+00  0.194021D+02  0.705270D+01 -0.552331D+01  0.172982D+02
      2   0.185112D+01 -0.155951D+02 -0.698348D+01  0.857092D-01 -0.164001D+01
      3  -0.195276D+01 -0.380704D+01 -0.692225D-01  0.543760D+01 -0.156582D+02
      4   0.467054D+00 -0.345397D+00 -0.264420D+01 -0.574665D+01  0.583445D+01
      5  -0.765719D+00  0.165038D+02  0.933002D+01  0.378341D+01 -0.113536D+02
      6   0.182370D+01 -0.682338D-01 -0.983165D+00 -0.241900D+01  0.110358D+01
               346           347           348           349           350 
      1  -0.622681D+01 -0.979311D+01  0.777631D+01  0.760897D+01  0.587780D+01
      2   0.590204D+01  0.351195D+00  0.732098D+01 -0.663495D+01  0.624353D+01
      3   0.324766D+00  0.944191D+01 -0.150973D+02 -0.974023D+00 -0.121213D+02
      4   0.230365D+01 -0.157694D+02  0.182685D+02 -0.472752D+01  0.147407D+02
      5  -0.719257D+01  0.156792D+02 -0.287556D+02  0.118086D+02 -0.208322D+02
      6   0.431008D+00 -0.714578D+01  0.870456D+01 -0.136747D+01  0.724117D+01
               351           352           353           354           355 
      1  -0.213863D+02  0.524516D+02 -0.284967D+02 -0.463775D+01 -0.361161D+02
      2  -0.168797D+02 -0.246174D+02  0.127344D+02  0.223888D+01  0.133264D+02
      3   0.382660D+02 -0.278342D+02  0.157623D+02  0.239887D+01  0.227897D+02
      4  -0.232821D+02 -0.400733D+02  0.286164D+02  0.414314D+01  0.458510D+02
      5   0.553037D+02 -0.594251D+01  0.387157D+01  0.113941D+02  0.520559D+01
      6  -0.801965D+01  0.140885D+01 -0.755014D+00 -0.114577D+01 -0.157553D+01
               356           357           358           359           360 
      1   0.201876D+02  0.329159D+01 -0.149189D+02  0.661369D+01  0.106852D+02
      2  -0.123281D+01 -0.877451D+00  0.756081D+01 -0.287548D+01 -0.710925D+01
      3  -0.189547D+02 -0.241414D+01  0.735814D+01 -0.373822D+01 -0.357596D+01
      4  -0.530588D+02 -0.669150D+01  0.118689D+02 -0.856413D+01 -0.867059D+01
      5  -0.612102D+01 -0.556197D+01  0.213618D+02 -0.775774D+01 -0.583493D+01
      6   0.972229D+00  0.330999D+01 -0.228645D+01  0.430584D+01  0.116075D+01
               361           362           363           364           365 
      1  -0.448357D+02 -0.183566D+02 -0.141026D+02 -0.188494D+02 -0.120427D+02
      2   0.216286D+02  0.105549D+02 -0.491185D+01  0.104051D+02  0.419980D+01
      3   0.232071D+02  0.780174D+01  0.190145D+02  0.844436D+01  0.784295D+01
      4  -0.206523D+02 -0.951200D+01  0.782766D+00 -0.558332D+01 -0.636571D+01
      5   0.222693D+02  0.110548D+02 -0.117502D+02  0.110600D+02 -0.167102D+01
      6   0.691741D+01  0.530383D+01  0.274042D+00  0.285149D+01  0.354370D+01
               366           367           368           369           370 
      1  -0.192156D+01 -0.956942D+00  0.372788D+00 -0.115218D+02  0.481999D+00
      2  -0.381353D+01 -0.625192D+01 -0.320899D+01  0.510561D+01 -0.351389D+01
      3   0.573509D+01  0.720886D+01  0.283620D+01  0.641621D+01  0.303190D+01
      4  -0.642012D+01  0.272686D+01 -0.245573D+01 -0.467426D+01  0.279544D+01
      5  -0.556621D+01 -0.740508D+01 -0.442305D+01  0.594679D+01 -0.999670D+01
      6   0.574990D+01  0.106275D+00  0.311697D+01  0.895545D+00 -0.355448D+01
               371           372           373           374           375 
      1   0.433057D+01 -0.922370D+01  0.281881D+01 -0.129974D+02  0.185315D+02
      2  -0.150956D+01  0.599355D+01 -0.530978D+01  0.318224D+01  0.668853D+01
      3  -0.282102D+01  0.323015D+01  0.249097D+01  0.981514D+01 -0.252200D+02
      4   0.450782D+01 -0.128660D+01  0.124404D+02  0.298083D+02 -0.253502D+02
      5  -0.139188D+01  0.110933D+02 -0.140883D+02 -0.269715D+02  0.402502D+02
      6  -0.143651D+01  0.724155D-01 -0.945467D+01 -0.266753D+02  0.282309D+02
               376           377           378           379           380 
      1  -0.406350D+01  0.121557D+02 -0.179478D+02  0.346860D+02 -0.170363D+02
      2   0.872474D+01  0.328922D+01 -0.137146D+02 -0.296929D+02  0.141670D+02
      3  -0.466125D+01 -0.154449D+02  0.316624D+02 -0.499311D+01  0.286927D+01
      4  -0.645304D+01 -0.179420D+02  0.216808D+02 -0.230543D+02  0.179549D+02
      5   0.192332D+02  0.222991D+02 -0.447205D+02 -0.423086D+02  0.210881D+02
      6   0.597293D+01  0.201059D+02 -0.254084D+02  0.103637D+02 -0.869195D+01
               381           382           383           384           385 
      1  -0.169023D+02 -0.242737D+02  0.107730D+02  0.105786D+02 -0.957389D+01
      2   0.227445D+02  0.217659D+02 -0.132605D+02 -0.187818D+02  0.173573D+02
      3  -0.584220D+01  0.250778D+01  0.248753D+01  0.820312D+01 -0.778343D+01
      4   0.150821D+02  0.261996D+02 -0.273956D+02 -0.250129D+02  0.120023D+02
      5   0.403250D+02  0.340674D+02 -0.293613D+02 -0.335523D+02  0.320445D+02
      6  -0.659021D+01 -0.135384D+02  0.140656D+02  0.155581D+02 -0.628469D+01
               386           387           388           389           390 
      1   0.480253D+01  0.907950D+01  0.442615D+02  0.991553D+01  0.237534D+02
      2  -0.906866D+01 -0.212488D+02 -0.182786D+02 -0.112196D+01 -0.827328D+01
      3   0.426613D+01  0.121694D+02 -0.259829D+02 -0.879356D+01 -0.154801D+02
      4  -0.135445D+02 -0.133541D+02  0.175861D+02  0.143077D+02  0.141163D+02
      5  -0.158902D+02 -0.370090D+02  0.214464D+02  0.101581D+02  0.189524D+02
      6   0.965036D+01  0.778199D+01  0.623681D+01  0.209176D+01  0.386523D+01
               391           392           393           394           395 
      1   0.991775D+01  0.137340D+02  0.113056D+02  0.541263D+02  0.181424D+02
      2   0.141059D+01 -0.129180D+01 -0.186833D+01 -0.211279D+02 -0.359955D+01
      3  -0.113283D+02 -0.124422D+02 -0.943729D+01 -0.329984D+02 -0.145429D+02
      4   0.231668D+02  0.201562D+02  0.985229D+01  0.273145D+02  0.176378D+02
      5   0.116977D+02  0.678805D+01  0.145921D+02  0.232007D+02  0.146075D+02
      6   0.117479D+01  0.137359D+01  0.624728D+01  0.523913D+01  0.519648D+01
               396           397           398           399           400 
      1   0.225264D+02  0.113828D+03 -0.311824D+02 -0.298227D+02 -0.101780D+03
      2  -0.550172D+01 -0.696326D+02  0.196336D+02  0.209759D+02  0.619140D+02
      3  -0.170246D+02 -0.441953D+02  0.115488D+02  0.884678D+01  0.398665D+02
      4   0.189916D+02 -0.263646D+02  0.162330D+02  0.718201D+01  0.285553D+02
      5   0.482318D+02 -0.423708D+02  0.121635D+02  0.254717D+02  0.412985D+02
      6   0.112491D+02  0.418750D+01 -0.197874D+01  0.652298D+00 -0.389926D+01
               401           402           403           404           405 
      1   0.282906D+02  0.260407D+02 -0.458561D+02  0.102396D+02  0.280941D+02
      2  -0.187050D+02 -0.195528D+02  0.326806D+02 -0.893592D+01 -0.203458D+02
      3  -0.958564D+01 -0.648786D+01  0.131755D+02 -0.130370D+01 -0.774834D+01
      4  -0.247233D+02 -0.137880D+02  0.692937D+01 -0.118862D+02 -0.276638D+01
      5  -0.167407D+02 -0.203300D+02  0.437358D+02 -0.570371D+01 -0.243283D+02
      6   0.357836D+01  0.340428D+01  0.231320D+01  0.425628D+01 -0.429729D+00
               406           407           408           409           410 
      1   0.131969D+02  0.786661D+01 -0.110581D+02  0.211513D+02  0.757237D+01
      2  -0.591254D+01 -0.243062D+01  0.572525D+01 -0.468893D+01  0.100635D+02
      3  -0.728437D+01 -0.543599D+01  0.533285D+01 -0.164624D+02 -0.176358D+02
      4   0.109007D+02  0.104888D+02 -0.524491D+01  0.447187D+02  0.631734D+02
      5  -0.141036D+02 -0.483767D+01  0.913755D+01 -0.242088D+02 -0.372550D+02
      6  -0.561769D+01 -0.252346D+01  0.201189D+01 -0.147701D+02 -0.251240D+02
               411           412           413           414           415 
      1  -0.307075D+00 -0.276706D+02 -0.132949D+01  0.799286D+01 -0.212047D+02
      2  -0.303710D+01  0.155059D+02 -0.250485D+01 -0.635163D+01  0.235783D+02
      3   0.334418D+01  0.121647D+02  0.383434D+01 -0.164123D+01 -0.237362D+01
      4  -0.365648D+02 -0.262315D+02 -0.377783D+02  0.340880D+02 -0.317933D+01
      5   0.337967D+02  0.356313D+02  0.338619D+02 -0.402100D+02  0.526333D+01
      6   0.195903D+02  0.138806D+02  0.199644D+02 -0.199945D+02  0.515017D+01
               416           417           418           419           420 
      1   0.334413D+02  0.995332D+01  0.154345D+02 -0.307367D+02 -0.111757D+02
      2  -0.361751D+02 -0.118454D+02 -0.149131D+02  0.413122D+02  0.134431D+02
      3   0.273378D+01  0.189205D+01 -0.521358D+00 -0.105756D+02 -0.226736D+01
      4  -0.142510D+00  0.155729D+01  0.356859D+01  0.979434D+01  0.296995D+01
      5  -0.691318D+01 -0.835736D+01 -0.397752D+01  0.914309D+01  0.382096D+01
      6  -0.539029D+01 -0.111728D+02 -0.368040D+01  0.800979D+01  0.679955D+01
               421           422           423           424           425 
      1   0.124082D+02 -0.228415D+02 -0.178498D+02  0.323578D+02  0.907768D+01
      2  -0.112780D+02  0.294795D+02  0.146567D+02  0.763902D+01  0.243497D+02
      3  -0.113027D+01 -0.663803D+01  0.319317D+01 -0.399968D+02 -0.334274D+02
      4   0.455086D+01  0.103136D+02 -0.531231D+00  0.685822D+02  0.637869D+02
      5  -0.623296D+01  0.780937D+01  0.807812D+01 -0.129481D+02 -0.108961D+02
      6  -0.790161D+01  0.107224D+02  0.103178D+02 -0.837013D+01 -0.103737D+02
               426           427           428           429           430 
      1   0.315934D-01  0.867712D+01  0.650768D+00 -0.140844D+01  0.122083D+01
      2  -0.334662D+01  0.168817D+02  0.336001D+02 -0.699830D+00 -0.575332D+00
      3   0.331503D+01 -0.255589D+02 -0.342508D+02  0.210827D+01 -0.645496D+00
      4  -0.840864D+01  0.496437D+02  0.621069D+02 -0.666662D+01 -0.177087D+01
      5   0.835289D+01 -0.798553D+01 -0.763533D+01  0.702825D+01  0.748788D+01
      6   0.712665D+01 -0.657505D+01 -0.847257D+01  0.714721D+01  0.631334D+01
               431           432           433           434           435 
      1  -0.178137D+01 -0.101030D+01 -0.983709D+01  0.124259D+02 -0.149026D+02
      2   0.320574D+01  0.296750D+01  0.641379D+01 -0.893281D+01  0.288999D+01
      3  -0.142437D+01 -0.195720D+01  0.342330D+01 -0.349313D+01  0.120127D+02
      4  -0.980302D+00  0.936834D+01  0.884792D+00  0.197744D+01 -0.435653D+01
      5   0.886110D+01 -0.475569D+01 -0.259676D+01  0.129716D+01 -0.826773D+01
      6   0.942024D+01 -0.503536D+01 -0.638334D+01  0.464024D+01 -0.146330D+02
               436           437           438           439           440 
      1   0.125898D+01 -0.514257D+01  0.350923D+01 -0.847827D+01  0.174961D+02
      2  -0.581452D+00  0.255825D+01 -0.573113D+01  0.192722D+01 -0.149673D+02
      3  -0.677532D+00  0.258433D+01  0.222190D+01  0.655105D+01 -0.252878D+01
      4   0.118281D+01 -0.171829D+01 -0.466591D+01 -0.538081D+01 -0.109735D+02
      5  -0.101924D+01 -0.486025D+01  0.897478D+00 -0.459788D+00  0.111436D+02
      6  -0.448010D-01 -0.514146D+01  0.627519D+01 -0.588519D+01  0.191061D+02
               441           442           443           444           445 
      1  -0.351386D+02  0.422067D+00  0.435180D+01  0.922318D+01  0.281255D+01
      2   0.409554D+01 -0.346174D+01 -0.150272D+01 -0.595508D+01 -0.527889D+01
      3   0.310431D+02  0.303968D+01 -0.284907D+01 -0.326810D+01  0.246634D+01
      4   0.639132D+00  0.276175D+01  0.444587D+01  0.123202D+01  0.123640D+02
      5  -0.349386D+02  0.991573D+01  0.134141D+01  0.109943D+02  0.139979D+02
      6  -0.409335D+02  0.353859D+01  0.138757D+01  0.180292D-01  0.940350D+01
               446           447           448           449           450 
      1  -0.131055D+02 -0.186195D+02  0.404150D+01 -0.122164D+02 -0.180006D+02
      2   0.325596D+01 -0.662568D+01 -0.866943D+01 -0.323802D+01 -0.136284D+02
      3   0.984956D+01  0.252452D+02  0.462793D+01  0.154545D+02  0.316290D+02
      4   0.298202D+02  0.253173D+02  0.638495D+01  0.179125D+02  0.216180D+02
      5   0.269217D+02  0.401564D+02  0.191185D+02  0.222206D+02  0.445545D+02
      6   0.267094D+02  0.282354D+02  0.592029D+01  0.201045D+02  0.253758D+02
               451           452           453           454           455 
      1  -0.447578D+02 -0.183305D+02  0.140471D+02 -0.188581D+02 -0.120727D+02
      2   0.216098D+02  0.105561D+02  0.490827D+01  0.104270D+02  0.422598D+01
      3   0.231480D+02  0.777436D+01 -0.189554D+02  0.843110D+01  0.784670D+01
      4  -0.206395D+02 -0.951242D+01 -0.816077D+00 -0.561390D+01 -0.636467D+01
      5  -0.222862D+02 -0.110752D+02 -0.117221D+02 -0.110984D+02  0.164636D+01
      6  -0.693325D+01 -0.531300D+01  0.265845D+00 -0.286664D+01 -0.354433D+01
               456           457           458           459           460 
      1   0.191076D+01  0.901431D+00 -0.389552D+00 -0.114640D+02  0.346084D+02
      2   0.383366D+01  0.627362D+01  0.322322D+01  0.511645D+01 -0.296794D+02
      3  -0.574442D+01 -0.717505D+01 -0.283367D+01  0.634759D+01 -0.492903D+01
      4   0.640405D+01 -0.275866D+01  0.244747D+01 -0.468131D+01 -0.229850D+02
      5  -0.559826D+01 -0.743355D+01 -0.444529D+01 -0.598670D+01  0.423182D+02
      6   0.574259D+01  0.903838D-01  0.310640D+01 -0.903991D+00 -0.103457D+02
               461           462           463           464           465 
      1  -0.169666D+02  0.168784D+02 -0.241664D+02  0.106813D+02 -0.105434D+02
      2   0.141448D+02 -0.227780D+02  0.217285D+02 -0.132304D+02  0.188017D+02
      3   0.282181D+01  0.589961D+01  0.243795D+01  0.254910D+01 -0.825831D+01
      4   0.178959D+02 -0.150861D+02  0.261125D+02 -0.272995D+02  0.250026D+02
      5  -0.210786D+02  0.403957D+02 -0.340425D+02  0.293309D+02 -0.335921D+02
      6   0.867077D+01 -0.659378D+01  0.135058D+02 -0.140288D+02  0.155651D+02
               466           467           468           469           470 
      1   0.958864D+01 -0.479650D+01  0.906189D+01  0.131377D+02  0.787086D+01
      2  -0.174157D+02  0.909221D+01 -0.213438D+02 -0.588213D+01 -0.243745D+01
      3   0.782708D+01 -0.429570D+01  0.122819D+02 -0.725559D+01 -0.543341D+01
      4  -0.120183D+02  0.135591D+02 -0.133943D+02  0.108844D+02  0.104688D+02
      5   0.321349D+02 -0.159334D+02  0.371849D+02  0.140751D+02  0.482080D+01
      6  -0.629477D+01  0.966151D+01 -0.780489D+01  0.560995D+01  0.251856D+01
               471           472           473           474           475 
      1   0.110364D+02  0.211667D+02  0.754665D+01  0.297147D+00  0.276223D+02
      2  -0.571780D+01 -0.471632D+01  0.100523D+02  0.302564D+01 -0.155020D+02
      3  -0.531857D+01 -0.164503D+02 -0.175989D+02 -0.332279D+01 -0.121203D+02
      4   0.522027D+01  0.447025D+02  0.631719D+02  0.365880D+02  0.261840D+02
      5   0.913078D+01  0.242197D+02  0.372793D+02  0.338072D+02  0.356437D+02
      6   0.200401D+01  0.147818D+02  0.251448D+02  0.196058D+02  0.138760D+02
               476           477           478           479           480 
      1   0.129399D+01  0.799503D+01  0.113436D+03 -0.311554D+02  0.298405D+02
      2   0.250163D+01 -0.637603D+01 -0.694354D+02  0.196227D+02 -0.210034D+02
      3  -0.379562D+01 -0.161900D+01 -0.440002D+02  0.115327D+02 -0.883716D+01
      4   0.377627D+02  0.340739D+02 -0.264054D+02  0.162251D+02 -0.722444D+01
      5   0.338479D+02  0.402239D+02  0.423952D+02 -0.122080D+02  0.255155D+02
      6   0.199677D+02  0.199996D+02 -0.420226D+01  0.198244D+01  0.640666D+00
               481           482           483           484           485 
      1  -0.101670D+03  0.282794D+02 -0.261131D+02  0.459157D+02 -0.102848D+02
      2   0.618805D+02 -0.187112D+02  0.196203D+02 -0.327543D+02  0.897460D+01
      3   0.397896D+02 -0.956814D+01  0.649273D+01 -0.131614D+02  0.131021D+01
      4   0.285889D+02 -0.247591D+02  0.138515D+02 -0.699712D+01  0.119293D+02
      5  -0.414194D+02  0.168079D+02 -0.204265D+02  0.438397D+02 -0.575707D+01
      6   0.392074D+01 -0.359683D+01  0.342077D+01  0.229709D+01  0.426601D+01
               486           487           488           489           490 
      1   0.281484D+02  0.445028D+02  0.996410D+01 -0.238187D+02  0.995203D+01
      2  -0.204170D+02 -0.183785D+02 -0.113825D+01  0.829410D+01  0.139511D+01
      3  -0.773147D+01 -0.261243D+02 -0.882585D+01  0.155246D+02 -0.113471D+02
      4  -0.281461D+01  0.176536D+02  0.143310D+02 -0.141200D+02  0.231725D+02
      5   0.244607D+02 -0.214700D+02 -0.101529D+02  0.189916D+02 -0.116906D+02
      6   0.424206D+00 -0.623334D+01 -0.208367D+01  0.386548D+01 -0.116233D+01
               491           492           493           494           495 
      1   0.137551D+02 -0.113240D+02 -0.542172D+02 -0.181507D+02  0.225917D+02
      2  -0.131977D+01  0.189026D+01  0.211659D+02  0.361883D+01 -0.553951D+01
      3  -0.124354D+02  0.943376D+01  0.330513D+02  0.145319D+02 -0.170522D+02
      4   0.201138D+02 -0.981172D+01 -0.273021D+02 -0.175909D+02  0.189306D+02
      5  -0.674317D+01  0.145276D+02  0.232028D+02  0.145375D+02 -0.481622D+02
      6  -0.135473D+01  0.622798D+01  0.522644D+01  0.517191D+01 -0.112156D+02
               496           497           498           499           500 
      1   0.177224D+03  0.280769D+01 -0.398560D+02  0.352477D+01  0.114344D+02
      2  -0.105770D+03 -0.134490D+01  0.284777D+02 -0.163510D+01 -0.537801D+01
      3  -0.714543D+02 -0.146279D+01  0.113783D+02 -0.188967D+01 -0.605643D+01
      4   0.888609D+01  0.142694D+02 -0.602840D+00  0.188585D+02  0.656991D+00
      5  -0.746890D+02 -0.860178D+00  0.366938D+02  0.650835D+00 -0.665719D+01
      6  -0.184983D+01 -0.328832D+01  0.207798D+01 -0.445003D+01 -0.105710D+01
               501           502           503           504           505 
      1   0.278810D+00 -0.255340D+02 -0.834078D-01  0.193496D+02  0.709511D+01
      2  -0.907315D+00  0.207109D+02 -0.186330D+01 -0.155367D+02 -0.699484D+01
      3   0.628506D+00  0.482313D+01  0.194671D+01 -0.381296D+01 -0.100263D+00
      4  -0.586380D+01  0.349112D+00 -0.454018D+00 -0.368561D+00 -0.266151D+01
      5  -0.938634D+00  0.298339D+02 -0.788127D+00 -0.163935D+02 -0.932086D+01
      6   0.323173D+01  0.258884D+01  0.181503D+01  0.832037D-01  0.987910D+00
               506           507           508           509           510 
      1  -0.553352D+01 -0.172579D+02 -0.624519D+01 -0.977738D+01 -0.774067D+01
      2   0.102040D+00  0.164069D+01  0.592138D+01  0.346217D+00 -0.732934D+01
      3   0.543148D+01  0.156173D+02  0.323806D+00  0.943117D+01  0.150700D+02
      4  -0.573973D+01 -0.581342D+01  0.233146D+01 -0.157940D+02 -0.182966D+02
      5  -0.376740D+01 -0.113396D+02  0.723015D+01 -0.157132D+02 -0.287856D+02
      6   0.241401D+01  0.110062D+01 -0.442794D+00  0.715345D+01  0.871436D+01
               511           512           513           514           515 
      1  -0.758683D+01 -0.585177D+01 -0.213352D+02 -0.193406D+02  0.187512D+02
      2   0.664006D+01 -0.625936D+01 -0.168935D+02  0.966976D+01 -0.924114D+01
      3   0.946772D+00  0.121111D+02  0.382287D+02  0.967082D+01 -0.951007D+01
      4   0.476387D+01 -0.147674D+02 -0.233098D+02  0.286426D+01 -0.326160D+00
      5   0.118489D+02 -0.208712D+02 -0.553714D+02 -0.450761D+01  0.548605D+01
      6  -0.137833D+01  0.725301D+01  0.803796D+01 -0.805387D+01  0.913856D+01
               516           517           518           519           520 
      1  -0.304772D+02  0.695590D+01 -0.948863D+01  0.109436D+02 -0.117007D+02
      2   0.763041D+01 -0.253978D+01  0.647084D+01 -0.731926D+01  0.266894D+01
      3   0.228468D+02 -0.441612D+01  0.301779D+01 -0.362432D+01  0.903179D+01
      4   0.198866D+01  0.698649D+01  0.989693D+01 -0.889128D+01 -0.104503D+01
      5  -0.183189D+02 -0.756551D+00 -0.958443D+01  0.686832D+01 -0.955344D-01
      6  -0.176250D+02  0.317411D+00 -0.106456D+02  0.114437D+02 -0.422078D+01
               521           522           523           524           525 
      1   0.164026D+02 -0.362202D+02  0.466883D+02  0.264629D+02 -0.940024D+01
      2  -0.688645D+01  0.423637D+01 -0.151626D+02 -0.103008D+01  0.382864D+01
      3  -0.951619D+01  0.319838D+02 -0.315257D+02 -0.254329D+02  0.557160D+01
      4  -0.809917D+01  0.604052D+01  0.577866D+02  0.540998D+02 -0.147967D+02
      5   0.111677D+02 -0.290132D+02 -0.255285D+02 -0.174053D+02  0.166625D+02
      6   0.145766D+02 -0.235916D+02 -0.155381D+02 -0.142347D+02  0.792117D+01
               526           527           528           529           530 
      1   0.321498D+02  0.199284D+02 -0.412782D+01  0.587542D+01  0.280011D+01
      2  -0.806096D+00  0.124629D+02 -0.695862D+00 -0.130967D+01  0.156938D+00
      3  -0.313438D+02 -0.323913D+02  0.482368D+01 -0.456575D+01 -0.295705D+01
      4   0.690247D+02  0.747848D+02 -0.229081D+02  0.723837D+00 -0.766963D+01
      5  -0.270578D+02 -0.270464D+02  0.182078D+02  0.868004D+01  0.117333D+02
      6  -0.213320D+02 -0.239576D+02  0.141348D+02  0.428639D+01  0.912041D+01
               531           532           533           534           535 
      1   0.456263D+00  0.523001D+02 -0.284652D+02  0.464227D+01 -0.360688D+02
      2   0.125784D+01 -0.245372D+02  0.127196D+02 -0.224111D+01  0.132992D+02
      3  -0.171410D+01 -0.277628D+02  0.157456D+02 -0.240116D+01  0.227696D+02
      4   0.120455D+02 -0.400344D+02  0.285962D+02 -0.416696D+01  0.458385D+02
      5  -0.715958D+01  0.596378D+01 -0.389680D+01  0.113926D+02 -0.524986D+01
      6  -0.618120D+01 -0.142772D+01  0.765737D+00 -0.114812D+01  0.159430D+01
               536           537           538           539           540 
      1   0.201481D+02 -0.330800D+01  0.149260D+02 -0.663043D+01  0.106804D+02
      2  -0.119657D+01  0.880875D+00 -0.756334D+01  0.288041D+01 -0.710646D+01
      3  -0.189516D+02  0.242712D+01 -0.736263D+01  0.375002D+01 -0.357391D+01
      4  -0.531127D+02  0.673524D+01 -0.119107D+02  0.861819D+01 -0.869266D+01
      5   0.617033D+01 -0.557822D+01  0.213733D+02 -0.777991D+01  0.587647D+01
      6  -0.994048D+00  0.331730D+01 -0.228891D+01  0.431590D+01 -0.116892D+01
               541           542           543           544           545 
      1   0.324494D+02  0.911808D+01 -0.407253D-02  0.869156D+01  0.703953D+00
      2   0.758740D+01  0.243255D+02  0.333718D+01  0.168542D+02  0.335134D+02
      3  -0.400368D+02 -0.334436D+02 -0.333310D+01 -0.255457D+02 -0.342174D+02
      4   0.686558D+02  0.638180D+02  0.843170D+01  0.496309D+02  0.620521D+02
      5   0.129734D+02  0.108992D+02  0.836263D+01  0.798883D+01  0.763355D+01
      6   0.838317D+01  0.103749D+02  0.712378D+01  0.658037D+01  0.846119D+01
               546           547           548           549           550 
      1   0.141753D+01 -0.119992D+01  0.178192D+01 -0.100776D+01 -0.211333D+02
      2   0.696680D+00  0.584116D+00 -0.317932D+01  0.297553D+01  0.235143D+02
      3  -0.211421D+01  0.615805D+00  0.139739D+01 -0.196777D+01 -0.238098D+01
      4   0.667609D+01  0.182104D+01  0.102919D+01  0.938038D+01 -0.312430D+01
      5   0.703256D+01  0.750536D+01  0.887583D+01  0.476340D+01 -0.524100D+01
      6   0.714914D+01  0.632001D+01  0.943399D+01  0.504144D+01 -0.515638D+01
               551           552           553           554           555 
      1   0.334207D+02 -0.998102D+01  0.154192D+02 -0.307743D+02  0.112194D+02
      2  -0.361505D+02  0.118723D+02 -0.148923D+02  0.413651D+02 -0.134998D+02
      3   0.272983D+01 -0.189131D+01 -0.526974D+00 -0.105908D+02  0.228038D+01
      4  -0.158748D+00 -0.153685D+01  0.356547D+01  0.984875D+01 -0.299536D+01
      5   0.692508D+01 -0.836683D+01  0.397649D+01 -0.917375D+01  0.385085D+01
      6   0.542961D+01 -0.111870D+02  0.369678D+01 -0.806452D+01  0.683777D+01
               556           557           558           559           560 
      1  -0.124065D+02  0.229089D+02 -0.179061D+02 -0.986590D+01  0.124692D+02
      2   0.112762D+02 -0.295612D+02  0.147208D+02  0.643237D+01 -0.898270D+01
      3   0.113029D+01  0.665229D+01  0.318529D+01  0.343353D+01 -0.348646D+01
      4  -0.453813D+01 -0.103631D+02 -0.498546D+00  0.866765D+00  0.195048D+01
      5  -0.623485D+01  0.785447D+01 -0.813325D+01  0.260350D+01 -0.130541D+01
      6  -0.790990D+01  0.107816D+02 -0.103842D+02  0.640435D+01 -0.466041D+01
               561           562           563           564           565 
      1   0.149338D+02  0.127832D+01 -0.517595D+01 -0.352913D+01  0.850356D+01
      2  -0.291363D+01 -0.604306D+00  0.258843D+01  0.573453D+01 -0.193147D+01
      3  -0.120201D+02 -0.674013D+00  0.258752D+01 -0.220540D+01 -0.657209D+01
      4   0.436597D+01  0.117250D+01 -0.171801D+01  0.466298D+01  0.539475D+01
      5  -0.829923D+01  0.101861D+01  0.486242D+01  0.922547D+00 -0.496163D+00
      6  -0.146673D+02  0.342773D-01  0.515576D+01  0.630006D+01 -0.591757D+01
               566           567 
      1  -0.175032D+02 -0.351318D+02
      2   0.149862D+02  0.417005D+01
      3   0.251700D+01  0.309618D+02
      4   0.109728D+02  0.622921D+00
      5   0.111452D+02  0.348640D+02
      6   0.191091D+02  0.408718D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 18:39:12 2021, MaxMem= 16106127360 cpu:         1970245.7 elap:          165265.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -323.15993 -38.97642 -34.19955 -34.19886 -34.17769
 Alpha  occ. eigenvalues --  -24.74066 -24.74066 -24.73987 -24.73987 -24.73889
 Alpha  occ. eigenvalues --  -24.73888 -19.17380 -19.17379 -19.16409 -19.16408
 Alpha  occ. eigenvalues --  -10.44894 -10.44893 -10.29200 -10.29198 -10.28389
 Alpha  occ. eigenvalues --  -10.28387 -10.21239 -10.21238 -10.21136 -10.21135
 Alpha  occ. eigenvalues --  -10.20537 -10.20536 -10.19803 -10.19803 -10.19391
 Alpha  occ. eigenvalues --  -10.19391 -10.19131 -10.19131 -10.18500 -10.18499
 Alpha  occ. eigenvalues --  -10.18337 -10.18336 -10.18194 -10.18194  -4.43190
 Alpha  occ. eigenvalues --   -2.93964  -2.93895  -2.89495  -1.31240  -1.31239
 Alpha  occ. eigenvalues --   -1.22165  -1.22165  -1.21923  -1.21923  -1.06590
 Alpha  occ. eigenvalues --   -1.06172  -1.04663  -1.04553  -0.90181  -0.90136
 Alpha  occ. eigenvalues --   -0.79593  -0.79490  -0.77173  -0.77171  -0.75737
 Alpha  occ. eigenvalues --   -0.75625  -0.74017  -0.73990  -0.69050  -0.69038
 Alpha  occ. eigenvalues --   -0.67901  -0.67892  -0.67273  -0.67234  -0.63698
 Alpha  occ. eigenvalues --   -0.63633  -0.61234  -0.60934  -0.60781  -0.60780
 Alpha  occ. eigenvalues --   -0.59817  -0.59547  -0.56880  -0.56874  -0.55390
 Alpha  occ. eigenvalues --   -0.53653  -0.53448  -0.52676  -0.52612  -0.50966
 Alpha  occ. eigenvalues --   -0.49252  -0.49235  -0.48832  -0.48730  -0.48631
 Alpha  occ. eigenvalues --   -0.48629  -0.48122  -0.48120  -0.47283  -0.46991
 Alpha  occ. eigenvalues --   -0.46491  -0.46407  -0.45255  -0.45157  -0.44688
 Alpha  occ. eigenvalues --   -0.44517  -0.43538  -0.43170  -0.43097  -0.42928
 Alpha  occ. eigenvalues --   -0.42513  -0.42496  -0.42486  -0.42278  -0.42153
 Alpha  occ. eigenvalues --   -0.41517  -0.41144  -0.41046  -0.40611  -0.40510
 Alpha  occ. eigenvalues --   -0.40207  -0.39945  -0.39625  -0.39463  -0.39343
 Alpha  occ. eigenvalues --   -0.39182  -0.38776  -0.37989  -0.37577  -0.37350
 Alpha  occ. eigenvalues --   -0.36629  -0.36266  -0.35897  -0.35854  -0.35840
 Alpha  occ. eigenvalues --   -0.35314  -0.35075  -0.34557  -0.34489  -0.33512
 Alpha  occ. eigenvalues --   -0.33470  -0.32077  -0.31861  -0.31360  -0.31240
 Alpha  occ. eigenvalues --   -0.28800  -0.25783  -0.25058  -0.24154
 Alpha virt. eigenvalues --   -0.07705  -0.07364  -0.00796   0.00876   0.00926
 Alpha virt. eigenvalues --    0.01664   0.02444   0.03120   0.03179   0.03492
 Alpha virt. eigenvalues --    0.03759   0.04476   0.04552   0.04838   0.05302
 Alpha virt. eigenvalues --    0.05678   0.05805   0.06027   0.06118   0.06278
 Alpha virt. eigenvalues --    0.07048   0.07687   0.07906   0.08303   0.08352
 Alpha virt. eigenvalues --    0.08521   0.09148   0.09494   0.09585   0.09597
 Alpha virt. eigenvalues --    0.09658   0.10136   0.10519   0.10690   0.10728
 Alpha virt. eigenvalues --    0.11121   0.11397   0.12084   0.12106   0.12272
 Alpha virt. eigenvalues --    0.12572   0.12829   0.13051   0.13308   0.13325
 Alpha virt. eigenvalues --    0.13726   0.14158   0.14304   0.14389   0.14465
 Alpha virt. eigenvalues --    0.14765   0.14894   0.15591   0.15647   0.15921
 Alpha virt. eigenvalues --    0.16018   0.16247   0.16639   0.16859   0.17064
 Alpha virt. eigenvalues --    0.17273   0.17382   0.17721   0.17755   0.18217
 Alpha virt. eigenvalues --    0.18292   0.18633   0.18691   0.18963   0.19038
 Alpha virt. eigenvalues --    0.19543   0.19912   0.20110   0.20170   0.20409
 Alpha virt. eigenvalues --    0.20713   0.20840   0.21111   0.21181   0.21573
 Alpha virt. eigenvalues --    0.21808   0.22086   0.22386   0.22752   0.22849
 Alpha virt. eigenvalues --    0.23429   0.23464   0.23506   0.23635   0.23799
 Alpha virt. eigenvalues --    0.24618   0.24757   0.25146   0.25202   0.25559
 Alpha virt. eigenvalues --    0.25595   0.25957   0.26023   0.26649   0.26813
 Alpha virt. eigenvalues --    0.26955   0.27137   0.27417   0.27795   0.27867
 Alpha virt. eigenvalues --    0.28055   0.28211   0.28581   0.28646   0.29002
 Alpha virt. eigenvalues --    0.29117   0.29281   0.29554   0.29771   0.29932
 Alpha virt. eigenvalues --    0.30064   0.30476   0.30634   0.30727   0.30818
 Alpha virt. eigenvalues --    0.30840   0.31298   0.31781   0.31975   0.32058
 Alpha virt. eigenvalues --    0.32373   0.32645   0.32957   0.33004   0.33009
 Alpha virt. eigenvalues --    0.33313   0.33354   0.33539   0.33607   0.33967
 Alpha virt. eigenvalues --    0.34259   0.34392   0.34551   0.34965   0.35130
 Alpha virt. eigenvalues --    0.35217   0.35505   0.35719   0.35931   0.36056
 Alpha virt. eigenvalues --    0.36266   0.36759   0.36842   0.36851   0.37101
 Alpha virt. eigenvalues --    0.37183   0.37413   0.37433   0.37924   0.38217
 Alpha virt. eigenvalues --    0.38242   0.38490   0.38691   0.38860   0.38927
 Alpha virt. eigenvalues --    0.39221   0.39314   0.39531   0.39646   0.39766
 Alpha virt. eigenvalues --    0.39931   0.40001   0.40368   0.40572   0.40581
 Alpha virt. eigenvalues --    0.40799   0.41014   0.41073   0.41508   0.41564
 Alpha virt. eigenvalues --    0.42111   0.42431   0.42536   0.42839   0.42925
 Alpha virt. eigenvalues --    0.43396   0.43682   0.43789   0.44008   0.44243
 Alpha virt. eigenvalues --    0.44366   0.44509   0.44710   0.44977   0.45093
 Alpha virt. eigenvalues --    0.45431   0.45709   0.45875   0.45947   0.46352
 Alpha virt. eigenvalues --    0.46625   0.46753   0.46948   0.47085   0.47462
 Alpha virt. eigenvalues --    0.47768   0.47903   0.47911   0.48077   0.48347
 Alpha virt. eigenvalues --    0.48952   0.49066   0.49198   0.49574   0.49698
 Alpha virt. eigenvalues --    0.50112   0.50243   0.50405   0.50889   0.50993
 Alpha virt. eigenvalues --    0.51130   0.51210   0.51583   0.51680   0.51765
 Alpha virt. eigenvalues --    0.52001   0.52134   0.52266   0.52746   0.52883
 Alpha virt. eigenvalues --    0.52985   0.53406   0.53546   0.53860   0.54495
 Alpha virt. eigenvalues --    0.54569   0.54754   0.54780   0.55222   0.55336
 Alpha virt. eigenvalues --    0.55487   0.55867   0.55891   0.56034   0.56085
 Alpha virt. eigenvalues --    0.56132   0.56595   0.56699   0.56874   0.57037
 Alpha virt. eigenvalues --    0.57557   0.57584   0.57679   0.57856   0.57916
 Alpha virt. eigenvalues --    0.58677   0.59000   0.59212   0.59352   0.59702
 Alpha virt. eigenvalues --    0.59978   0.60019   0.60366   0.60411   0.60602
 Alpha virt. eigenvalues --    0.60689   0.60857   0.60983   0.61148   0.61344
 Alpha virt. eigenvalues --    0.61634   0.61902   0.61989   0.62071   0.62400
 Alpha virt. eigenvalues --    0.62773   0.63009   0.63312   0.63377   0.63989
 Alpha virt. eigenvalues --    0.64052   0.64323   0.64471   0.64815   0.64963
 Alpha virt. eigenvalues --    0.65141   0.65553   0.65800   0.66051   0.66345
 Alpha virt. eigenvalues --    0.66420   0.66608   0.66687   0.66961   0.67514
 Alpha virt. eigenvalues --    0.67890   0.68383   0.68443   0.69040   0.69173
 Alpha virt. eigenvalues --    0.69448   0.69862   0.69879   0.70220   0.70514
 Alpha virt. eigenvalues --    0.70887   0.71039   0.71189   0.71350   0.71596
 Alpha virt. eigenvalues --    0.71987   0.72187   0.72410   0.72720   0.72794
 Alpha virt. eigenvalues --    0.73426   0.73664   0.74352   0.74613   0.74894
 Alpha virt. eigenvalues --    0.75174   0.75371   0.75636   0.75753   0.76213
 Alpha virt. eigenvalues --    0.76752   0.77187   0.77372   0.77713   0.78273
 Alpha virt. eigenvalues --    0.78282   0.78825   0.79225   0.79441   0.79573
 Alpha virt. eigenvalues --    0.80061   0.80471   0.80576   0.80659   0.81047
 Alpha virt. eigenvalues --    0.81211   0.81627   0.81898   0.81998   0.82417
 Alpha virt. eigenvalues --    0.82752   0.82766   0.83243   0.83700   0.83980
 Alpha virt. eigenvalues --    0.84055   0.84644   0.84961   0.85281   0.86196
 Alpha virt. eigenvalues --    0.86344   0.86436   0.86522   0.86618   0.86804
 Alpha virt. eigenvalues --    0.87326   0.87708   0.88524   0.89075   0.89118
 Alpha virt. eigenvalues --    0.89517   0.90190   0.90361   0.90429   0.90712
 Alpha virt. eigenvalues --    0.90780   0.91015   0.91827   0.92046   0.92059
 Alpha virt. eigenvalues --    0.92863   0.93734   0.93872   0.94300   0.94555
 Alpha virt. eigenvalues --    0.95255   0.95307   0.96051   0.96147   0.96197
 Alpha virt. eigenvalues --    0.96655   0.97032   0.97123   0.97582   0.97635
 Alpha virt. eigenvalues --    0.98108   0.98517   0.98847   0.99491   1.00241
 Alpha virt. eigenvalues --    1.00416   1.00661   1.00865   1.01323   1.01658
 Alpha virt. eigenvalues --    1.01947   1.02182   1.02270   1.02621   1.02938
 Alpha virt. eigenvalues --    1.03355   1.03978   1.04486   1.04786   1.05106
 Alpha virt. eigenvalues --    1.05167   1.05535   1.05730   1.06113   1.06143
 Alpha virt. eigenvalues --    1.06348   1.06864   1.07303   1.07370   1.08436
 Alpha virt. eigenvalues --    1.08563   1.08706   1.09134   1.09382   1.09629
 Alpha virt. eigenvalues --    1.09828   1.10717   1.11357   1.11523   1.12668
 Alpha virt. eigenvalues --    1.12693   1.13400   1.13551   1.13613   1.14256
 Alpha virt. eigenvalues --    1.14961   1.15678   1.16743   1.17145   1.17200
 Alpha virt. eigenvalues --    1.17370   1.19815   1.20016   1.20514   1.20857
 Alpha virt. eigenvalues --    1.20933   1.21329   1.21609   1.22534   1.23276
 Alpha virt. eigenvalues --    1.24208   1.24691   1.25393   1.25478   1.25907
 Alpha virt. eigenvalues --    1.27348   1.27526   1.27528   1.28138   1.28696
 Alpha virt. eigenvalues --    1.28858   1.29649   1.29889   1.30783   1.31137
 Alpha virt. eigenvalues --    1.31649   1.31832   1.32588   1.33940   1.34435
 Alpha virt. eigenvalues --    1.34947   1.35371   1.35930   1.36263   1.36407
 Alpha virt. eigenvalues --    1.36802   1.37052   1.38299   1.38410   1.38712
 Alpha virt. eigenvalues --    1.38980   1.39602   1.40314   1.40747   1.40756
 Alpha virt. eigenvalues --    1.42060   1.42754   1.43536   1.43723   1.45777
 Alpha virt. eigenvalues --    1.45782   1.46513   1.46572   1.47001   1.47602
 Alpha virt. eigenvalues --    1.48295   1.48534   1.48719   1.49815   1.50781
 Alpha virt. eigenvalues --    1.50804   1.51354   1.52022   1.52035   1.53969
 Alpha virt. eigenvalues --    1.54790   1.54892   1.56050   1.57339   1.57394
 Alpha virt. eigenvalues --    1.58485   1.59118   1.59802   1.60492   1.60570
 Alpha virt. eigenvalues --    1.61280   1.62216   1.62224   1.62902   1.63452
 Alpha virt. eigenvalues --    1.64121   1.64772   1.65036   1.67211   1.67586
 Alpha virt. eigenvalues --    1.67813   1.68209   1.68581   1.69204   1.69625
 Alpha virt. eigenvalues --    1.70179   1.70183   1.71349   1.71709   1.72037
 Alpha virt. eigenvalues --    1.72648   1.72925   1.74407   1.74966   1.75771
 Alpha virt. eigenvalues --    1.75897   1.76092   1.76430   1.77744   1.78319
 Alpha virt. eigenvalues --    1.78563   1.79716   1.80043   1.80134   1.81116
 Alpha virt. eigenvalues --    1.81313   1.82028   1.82506   1.82803   1.83074
 Alpha virt. eigenvalues --    1.83810   1.84423   1.84514   1.85184   1.85595
 Alpha virt. eigenvalues --    1.85833   1.87154   1.87405   1.87420   1.87917
 Alpha virt. eigenvalues --    1.88682   1.89073   1.89150   1.90384   1.90440
 Alpha virt. eigenvalues --    1.90452   1.90849   1.91431   1.92144   1.92245
 Alpha virt. eigenvalues --    1.92388   1.93036   1.93666   1.94158   1.94895
 Alpha virt. eigenvalues --    1.95362   1.95393   1.95927   1.96494   1.97233
 Alpha virt. eigenvalues --    1.97346   1.97820   1.97872   1.98185   1.98642
 Alpha virt. eigenvalues --    1.99604   1.99822   1.99954   2.00322   2.00781
 Alpha virt. eigenvalues --    2.01208   2.01822   2.02639   2.03019   2.03520
 Alpha virt. eigenvalues --    2.03763   2.04622   2.05164   2.05662   2.05962
 Alpha virt. eigenvalues --    2.06354   2.07294   2.07671   2.07769   2.07787
 Alpha virt. eigenvalues --    2.08631   2.08990   2.09013   2.09405   2.10196
 Alpha virt. eigenvalues --    2.10259   2.10329   2.10772   2.11170   2.11764
 Alpha virt. eigenvalues --    2.12315   2.13144   2.13152   2.13452   2.13883
 Alpha virt. eigenvalues --    2.14423   2.14502   2.15541   2.16661   2.16760
 Alpha virt. eigenvalues --    2.17152   2.17928   2.18234   2.18876   2.19428
 Alpha virt. eigenvalues --    2.19827   2.20584   2.21134   2.21693   2.22336
 Alpha virt. eigenvalues --    2.22839   2.23248   2.23754   2.24492   2.24553
 Alpha virt. eigenvalues --    2.25170   2.25629   2.26361   2.27222   2.27656
 Alpha virt. eigenvalues --    2.27786   2.27909   2.28298   2.29657   2.30166
 Alpha virt. eigenvalues --    2.30448   2.30936   2.31001   2.31330   2.32104
 Alpha virt. eigenvalues --    2.33091   2.34107   2.34833   2.35437   2.35795
 Alpha virt. eigenvalues --    2.35918   2.36359   2.37055   2.37967   2.38479
 Alpha virt. eigenvalues --    2.39977   2.40082   2.41016   2.41360   2.41542
 Alpha virt. eigenvalues --    2.42576   2.43476   2.43700   2.44699   2.44759
 Alpha virt. eigenvalues --    2.45818   2.45871   2.46681   2.48014   2.48342
 Alpha virt. eigenvalues --    2.48632   2.49402   2.50671   2.50800   2.52088
 Alpha virt. eigenvalues --    2.52639   2.52770   2.54065   2.54313   2.54763
 Alpha virt. eigenvalues --    2.55247   2.55642   2.57106   2.57519   2.57692
 Alpha virt. eigenvalues --    2.59218   2.59269   2.61633   2.61972   2.62189
 Alpha virt. eigenvalues --    2.62979   2.64878   2.65189   2.66064   2.66170
 Alpha virt. eigenvalues --    2.67328   2.67692   2.68477   2.68497   2.68857
 Alpha virt. eigenvalues --    2.69208   2.69386   2.69840   2.72114   2.72150
 Alpha virt. eigenvalues --    2.73514   2.73692   2.75611   2.75960   2.78094
 Alpha virt. eigenvalues --    2.78480   2.79529   2.79795   2.80551   2.80944
 Alpha virt. eigenvalues --    2.81877   2.82078   2.85805   2.86296   2.89489
 Alpha virt. eigenvalues --    2.89639   2.92420   2.92759   2.94051   2.95214
 Alpha virt. eigenvalues --    2.95851   2.96080   2.97878   2.98637   2.99272
 Alpha virt. eigenvalues --    3.00313   3.02760   3.03150   3.04594   3.04670
 Alpha virt. eigenvalues --    3.05770   3.06037   3.06949   3.07625   3.09287
 Alpha virt. eigenvalues --    3.10035   3.10622   3.10687   3.11402   3.12389
 Alpha virt. eigenvalues --    3.13129   3.13239   3.14703   3.15170   3.15411
 Alpha virt. eigenvalues --    3.15460   3.18427   3.18531   3.19787   3.19930
 Alpha virt. eigenvalues --    3.20653   3.20954   3.21448   3.22329   3.24506
 Alpha virt. eigenvalues --    3.24848   3.25017   3.26842   3.26938   3.28273
 Alpha virt. eigenvalues --    3.28887   3.29396   3.30461   3.30832   3.32216
 Alpha virt. eigenvalues --    3.32603   3.35542   3.35722   3.36000   3.36752
 Alpha virt. eigenvalues --    3.37621   3.38456   3.39562   3.39688   3.40710
 Alpha virt. eigenvalues --    3.40772   3.45998   3.46223   3.47618   3.47836
 Alpha virt. eigenvalues --    3.48841   3.49071   3.49665   3.50260   3.53185
 Alpha virt. eigenvalues --    3.54789   3.55132   3.55182   3.68392   3.68528
 Alpha virt. eigenvalues --    3.70738   3.71229   3.78478   3.78642   3.81992
 Alpha virt. eigenvalues --    3.86357   3.95182   3.98577   4.00890   4.00909
 Alpha virt. eigenvalues --    4.12298   4.12364   5.69184   5.70028   5.70318
 Alpha virt. eigenvalues --    5.70842   5.71742   5.76017   5.77214
  Beta  occ. eigenvalues -- -323.15974 -38.95727 -34.17858 -34.17791 -34.17258
  Beta  occ. eigenvalues --  -24.74061 -24.74061 -24.73984 -24.73983 -24.73890
  Beta  occ. eigenvalues --  -24.73889 -19.17073 -19.17071 -19.16123 -19.16122
  Beta  occ. eigenvalues --  -10.44859 -10.44858 -10.29211 -10.29209 -10.28406
  Beta  occ. eigenvalues --  -10.28404 -10.21208 -10.21207 -10.21136 -10.21134
  Beta  occ. eigenvalues --  -10.20538 -10.20537 -10.19805 -10.19804 -10.19379
  Beta  occ. eigenvalues --  -10.19378 -10.19131 -10.19131 -10.18499 -10.18498
  Beta  occ. eigenvalues --  -10.18338 -10.18337 -10.18194 -10.18194  -4.39200
  Beta  occ. eigenvalues --   -2.88313  -2.88256  -2.88177  -1.31229  -1.31229
  Beta  occ. eigenvalues --   -1.22162  -1.22161  -1.21914  -1.21914  -1.06099
  Beta  occ. eigenvalues --   -1.05677  -1.04154  -1.04023  -0.90127  -0.90083
  Beta  occ. eigenvalues --   -0.79510  -0.79412  -0.77158  -0.77154  -0.75686
  Beta  occ. eigenvalues --   -0.75574  -0.73931  -0.73888  -0.69037  -0.69025
  Beta  occ. eigenvalues --   -0.67868  -0.67865  -0.67247  -0.67215  -0.63577
  Beta  occ. eigenvalues --   -0.63550  -0.61151  -0.60895  -0.60767  -0.60765
  Beta  occ. eigenvalues --   -0.59612  -0.59427  -0.56828  -0.56741  -0.55020
  Beta  occ. eigenvalues --   -0.53267  -0.53030  -0.52312  -0.50796  -0.50591
  Beta  occ. eigenvalues --   -0.49221  -0.49219  -0.48761  -0.48690  -0.48616
  Beta  occ. eigenvalues --   -0.48612  -0.48091  -0.48076  -0.46986  -0.46470
  Beta  occ. eigenvalues --   -0.46339  -0.46211  -0.45199  -0.45130  -0.44617
  Beta  occ. eigenvalues --   -0.44492  -0.43308  -0.43041  -0.42856  -0.42844
  Beta  occ. eigenvalues --   -0.42489  -0.42482  -0.42358  -0.42164  -0.41631
  Beta  occ. eigenvalues --   -0.41256  -0.40927  -0.40912  -0.40505  -0.40059
  Beta  occ. eigenvalues --   -0.40012  -0.39878  -0.39392  -0.39323  -0.39117
  Beta  occ. eigenvalues --   -0.38632  -0.38286  -0.36281  -0.36117  -0.36033
  Beta  occ. eigenvalues --   -0.35845  -0.35831  -0.35826  -0.35320  -0.35034
  Beta  occ. eigenvalues --   -0.34898  -0.34422  -0.34379  -0.33653  -0.33237
  Beta  occ. eigenvalues --   -0.32110  -0.31339  -0.31263  -0.31170  -0.30239
  Beta  occ. eigenvalues --   -0.27845  -0.25023  -0.23948
  Beta virt. eigenvalues --   -0.12824  -0.07602  -0.07278  -0.00694   0.00879
  Beta virt. eigenvalues --    0.00893   0.01707   0.02452   0.03123   0.03174
  Beta virt. eigenvalues --    0.03495   0.03766   0.04507   0.04575   0.04869
  Beta virt. eigenvalues --    0.05316   0.05681   0.05833   0.06028   0.06119
  Beta virt. eigenvalues --    0.06282   0.07062   0.07703   0.07915   0.08314
  Beta virt. eigenvalues --    0.08366   0.08530   0.09170   0.09498   0.09601
  Beta virt. eigenvalues --    0.09631   0.09676   0.10163   0.10526   0.10698
  Beta virt. eigenvalues --    0.10741   0.11136   0.11480   0.12102   0.12114
  Beta virt. eigenvalues --    0.12287   0.12585   0.12835   0.13063   0.13309
  Beta virt. eigenvalues --    0.13341   0.13751   0.14163   0.14310   0.14410
  Beta virt. eigenvalues --    0.14530   0.14785   0.14902   0.15598   0.15654
  Beta virt. eigenvalues --    0.15930   0.16022   0.16262   0.16656   0.16869
  Beta virt. eigenvalues --    0.17101   0.17282   0.17392   0.17741   0.17763
  Beta virt. eigenvalues --    0.18235   0.18308   0.18657   0.18701   0.18972
  Beta virt. eigenvalues --    0.19047   0.19568   0.19935   0.20123   0.20187
  Beta virt. eigenvalues --    0.20429   0.20722   0.20872   0.21126   0.21200
  Beta virt. eigenvalues --    0.21594   0.21828   0.22143   0.22407   0.22784
  Beta virt. eigenvalues --    0.22866   0.23449   0.23495   0.23523   0.23647
  Beta virt. eigenvalues --    0.23813   0.24636   0.24796   0.25155   0.25224
  Beta virt. eigenvalues --    0.25587   0.25612   0.25977   0.26043   0.26685
  Beta virt. eigenvalues --    0.26824   0.26963   0.27167   0.27437   0.27839
  Beta virt. eigenvalues --    0.27875   0.28090   0.28236   0.28593   0.28658
  Beta virt. eigenvalues --    0.29010   0.29145   0.29302   0.29577   0.29811
  Beta virt. eigenvalues --    0.29967   0.30084   0.30493   0.30643   0.30749
  Beta virt. eigenvalues --    0.30837   0.30854   0.31329   0.31804   0.32013
  Beta virt. eigenvalues --    0.32088   0.32386   0.32660   0.32961   0.33015
  Beta virt. eigenvalues --    0.33021   0.33325   0.33389   0.33550   0.33625
  Beta virt. eigenvalues --    0.33985   0.34283   0.34397   0.34560   0.34983
  Beta virt. eigenvalues --    0.35150   0.35235   0.35516   0.35748   0.35941
  Beta virt. eigenvalues --    0.36064   0.36272   0.36780   0.36857   0.36863
  Beta virt. eigenvalues --    0.37129   0.37212   0.37426   0.37443   0.37932
  Beta virt. eigenvalues --    0.38232   0.38263   0.38505   0.38699   0.38874
  Beta virt. eigenvalues --    0.38956   0.39232   0.39364   0.39541   0.39660
  Beta virt. eigenvalues --    0.39777   0.39943   0.40016   0.40385   0.40602
  Beta virt. eigenvalues --    0.40647   0.40814   0.41031   0.41081   0.41520
  Beta virt. eigenvalues --    0.41594   0.42125   0.42447   0.42551   0.42851
  Beta virt. eigenvalues --    0.42933   0.43408   0.43698   0.43819   0.44013
  Beta virt. eigenvalues --    0.44259   0.44397   0.44526   0.44722   0.44986
  Beta virt. eigenvalues --    0.45107   0.45443   0.45730   0.45900   0.45990
  Beta virt. eigenvalues --    0.46370   0.46653   0.46777   0.46977   0.47098
  Beta virt. eigenvalues --    0.47494   0.47809   0.47927   0.47933   0.48086
  Beta virt. eigenvalues --    0.48368   0.48961   0.49088   0.49206   0.49600
  Beta virt. eigenvalues --    0.49720   0.50142   0.50252   0.50416   0.50895
  Beta virt. eigenvalues --    0.51010   0.51143   0.51225   0.51596   0.51703
  Beta virt. eigenvalues --    0.51781   0.52022   0.52146   0.52284   0.52768
  Beta virt. eigenvalues --    0.52905   0.53002   0.53422   0.53573   0.53899
  Beta virt. eigenvalues --    0.54502   0.54597   0.54769   0.54795   0.55244
  Beta virt. eigenvalues --    0.55350   0.55512   0.55886   0.55916   0.56050
  Beta virt. eigenvalues --    0.56113   0.56158   0.56610   0.56706   0.56907
  Beta virt. eigenvalues --    0.57051   0.57571   0.57607   0.57684   0.57867
  Beta virt. eigenvalues --    0.57941   0.58694   0.59016   0.59228   0.59364
  Beta virt. eigenvalues --    0.59718   0.59989   0.60027   0.60376   0.60426
  Beta virt. eigenvalues --    0.60609   0.60774   0.60867   0.60991   0.61163
  Beta virt. eigenvalues --    0.61360   0.61644   0.61914   0.61997   0.62087
  Beta virt. eigenvalues --    0.62423   0.62798   0.63023   0.63339   0.63399
  Beta virt. eigenvalues --    0.64019   0.64080   0.64332   0.64488   0.64845
  Beta virt. eigenvalues --    0.64969   0.65188   0.65565   0.65833   0.66063
  Beta virt. eigenvalues --    0.66386   0.66427   0.66625   0.66694   0.66982
  Beta virt. eigenvalues --    0.67526   0.67904   0.68391   0.68476   0.69056
  Beta virt. eigenvalues --    0.69188   0.69455   0.69888   0.69893   0.70237
  Beta virt. eigenvalues --    0.70523   0.70896   0.71049   0.71204   0.71358
  Beta virt. eigenvalues --    0.71611   0.72017   0.72215   0.72432   0.72748
  Beta virt. eigenvalues --    0.72805   0.73441   0.73690   0.74365   0.74636
  Beta virt. eigenvalues --    0.74902   0.75185   0.75382   0.75650   0.75768
  Beta virt. eigenvalues --    0.76224   0.76771   0.77226   0.77384   0.77726
  Beta virt. eigenvalues --    0.78289   0.78296   0.78839   0.79237   0.79473
  Beta virt. eigenvalues --    0.79585   0.80083   0.80488   0.80603   0.80670
  Beta virt. eigenvalues --    0.81056   0.81236   0.81644   0.81911   0.82015
  Beta virt. eigenvalues --    0.82428   0.82779   0.82782   0.83257   0.83717
  Beta virt. eigenvalues --    0.84000   0.84061   0.84652   0.84983   0.85302
  Beta virt. eigenvalues --    0.86216   0.86357   0.86444   0.86538   0.86623
  Beta virt. eigenvalues --    0.86815   0.87351   0.87714   0.88542   0.89097
  Beta virt. eigenvalues --    0.89135   0.89551   0.90214   0.90393   0.90451
  Beta virt. eigenvalues --    0.90741   0.90793   0.91029   0.91836   0.92071
  Beta virt. eigenvalues --    0.92111   0.92882   0.93759   0.93904   0.94324
  Beta virt. eigenvalues --    0.94571   0.95272   0.95331   0.96087   0.96162
  Beta virt. eigenvalues --    0.96207   0.96664   0.97041   0.97132   0.97596
  Beta virt. eigenvalues --    0.97651   0.98132   0.98531   0.98880   0.99519
  Beta virt. eigenvalues --    1.00260   1.00434   1.00676   1.00880   1.01348
  Beta virt. eigenvalues --    1.01674   1.01958   1.02197   1.02292   1.02637
  Beta virt. eigenvalues --    1.02963   1.03370   1.03987   1.04497   1.04807
  Beta virt. eigenvalues --    1.05115   1.05176   1.05547   1.05742   1.06150
  Beta virt. eigenvalues --    1.06152   1.06358   1.06873   1.07319   1.07396
  Beta virt. eigenvalues --    1.08463   1.08575   1.08712   1.09159   1.09401
  Beta virt. eigenvalues --    1.09644   1.09903   1.10727   1.11377   1.11537
  Beta virt. eigenvalues --    1.12696   1.12703   1.13409   1.13585   1.13626
  Beta virt. eigenvalues --    1.14309   1.14991   1.15688   1.16756   1.17168
  Beta virt. eigenvalues --    1.17210   1.17444   1.19829   1.20026   1.20526
  Beta virt. eigenvalues --    1.20875   1.20945   1.21339   1.21620   1.22540
  Beta virt. eigenvalues --    1.23351   1.24211   1.24715   1.25404   1.25510
  Beta virt. eigenvalues --    1.25988   1.27410   1.27536   1.27639   1.28154
  Beta virt. eigenvalues --    1.28780   1.29071   1.29682   1.29916   1.30802
  Beta virt. eigenvalues --    1.31151   1.31660   1.32011   1.32607   1.34008
  Beta virt. eigenvalues --    1.34462   1.34960   1.35449   1.35956   1.36442
  Beta virt. eigenvalues --    1.36443   1.36830   1.37177   1.38332   1.38432
  Beta virt. eigenvalues --    1.38764   1.39000   1.39644   1.40371   1.40766
  Beta virt. eigenvalues --    1.40786   1.42091   1.42773   1.43551   1.43775
  Beta virt. eigenvalues --    1.45851   1.45883   1.46596   1.46663   1.47064
  Beta virt. eigenvalues --    1.47689   1.48326   1.48771   1.49003   1.49858
  Beta virt. eigenvalues --    1.50839   1.50852   1.51440   1.52088   1.52106
  Beta virt. eigenvalues --    1.53985   1.54843   1.54973   1.56116   1.57374
  Beta virt. eigenvalues --    1.57473   1.58501   1.59145   1.59846   1.60576
  Beta virt. eigenvalues --    1.60600   1.61362   1.62241   1.62261   1.62957
  Beta virt. eigenvalues --    1.63491   1.64189   1.64869   1.65072   1.67305
  Beta virt. eigenvalues --    1.67623   1.67860   1.68268   1.68660   1.69240
  Beta virt. eigenvalues --    1.69653   1.70205   1.70214   1.71371   1.71734
  Beta virt. eigenvalues --    1.72065   1.72684   1.73008   1.74458   1.75046
  Beta virt. eigenvalues --    1.75790   1.75932   1.76125   1.76449   1.77776
  Beta virt. eigenvalues --    1.78427   1.78618   1.79749   1.80069   1.80173
  Beta virt. eigenvalues --    1.81133   1.81347   1.82106   1.82534   1.82852
  Beta virt. eigenvalues --    1.83139   1.83838   1.84443   1.84537   1.85212
  Beta virt. eigenvalues --    1.85624   1.85865   1.87191   1.87440   1.87449
  Beta virt. eigenvalues --    1.87955   1.88710   1.89095   1.89177   1.90457
  Beta virt. eigenvalues --    1.90462   1.90522   1.90890   1.91470   1.92187
  Beta virt. eigenvalues --    1.92283   1.92426   1.93073   1.93704   1.94186
  Beta virt. eigenvalues --    1.94934   1.95384   1.95440   1.96016   1.96518
  Beta virt. eigenvalues --    1.97261   1.97377   1.97882   1.97913   1.98209
  Beta virt. eigenvalues --    1.98684   1.99622   1.99843   1.99987   2.00354
  Beta virt. eigenvalues --    2.00816   2.01277   2.01862   2.02666   2.03061
  Beta virt. eigenvalues --    2.03546   2.03837   2.04647   2.05206   2.05690
  Beta virt. eigenvalues --    2.05979   2.06380   2.07301   2.07695   2.07789
  Beta virt. eigenvalues --    2.07805   2.08649   2.09020   2.09031   2.09426
  Beta virt. eigenvalues --    2.10209   2.10293   2.10355   2.10804   2.11186
  Beta virt. eigenvalues --    2.11776   2.12330   2.13155   2.13163   2.13487
  Beta virt. eigenvalues --    2.13904   2.14447   2.14555   2.15566   2.16682
  Beta virt. eigenvalues --    2.16783   2.17184   2.17949   2.18298   2.18913
  Beta virt. eigenvalues --    2.19448   2.19846   2.20596   2.21198   2.21726
  Beta virt. eigenvalues --    2.22378   2.22859   2.23279   2.23790   2.24522
  Beta virt. eigenvalues --    2.24587   2.25247   2.25642   2.26436   2.27251
  Beta virt. eigenvalues --    2.27668   2.27804   2.27960   2.28333   2.29713
  Beta virt. eigenvalues --    2.30192   2.30533   2.31010   2.31029   2.31392
  Beta virt. eigenvalues --    2.32162   2.33283   2.34121   2.34862   2.35457
  Beta virt. eigenvalues --    2.35825   2.35933   2.36450   2.37214   2.38008
  Beta virt. eigenvalues --    2.38697   2.39991   2.40106   2.41107   2.41414
  Beta virt. eigenvalues --    2.41575   2.42648   2.43496   2.43731   2.44819
  Beta virt. eigenvalues --    2.44986   2.45843   2.45910   2.46736   2.48045
  Beta virt. eigenvalues --    2.48373   2.48718   2.49414   2.50706   2.50841
  Beta virt. eigenvalues --    2.52099   2.52652   2.52845   2.54097   2.54329
  Beta virt. eigenvalues --    2.54776   2.55303   2.55664   2.57464   2.57536
  Beta virt. eigenvalues --    2.57758   2.59235   2.59286   2.61645   2.62008
  Beta virt. eigenvalues --    2.62232   2.63075   2.64896   2.65210   2.66073
  Beta virt. eigenvalues --    2.66187   2.67344   2.67721   2.68498   2.68535
  Beta virt. eigenvalues --    2.68871   2.69224   2.69394   2.69859   2.72135
  Beta virt. eigenvalues --    2.72165   2.73533   2.73711   2.75629   2.75978
  Beta virt. eigenvalues --    2.78128   2.78513   2.79545   2.79818   2.80558
  Beta virt. eigenvalues --    2.80953   2.81932   2.82146   2.85828   2.86321
  Beta virt. eigenvalues --    2.89559   2.89703   2.92891   2.92971   2.94253
  Beta virt. eigenvalues --    2.95774   2.96392   2.96407   2.98050   2.98709
  Beta virt. eigenvalues --    2.99372   3.00879   3.02859   3.03282   3.04787
  Beta virt. eigenvalues --    3.04831   3.05984   3.06126   3.07038   3.07877
  Beta virt. eigenvalues --    3.09457   3.10124   3.10654   3.10722   3.11596
  Beta virt. eigenvalues --    3.12572   3.13302   3.13343   3.14827   3.15224
  Beta virt. eigenvalues --    3.15512   3.15611   3.18469   3.18554   3.19800
  Beta virt. eigenvalues --    3.19940   3.20685   3.21112   3.21618   3.22385
  Beta virt. eigenvalues --    3.24547   3.24870   3.25044   3.26849   3.26941
  Beta virt. eigenvalues --    3.28382   3.28910   3.29408   3.30562   3.30867
  Beta virt. eigenvalues --    3.32271   3.32705   3.35553   3.35762   3.36076
  Beta virt. eigenvalues --    3.36789   3.37668   3.38548   3.39579   3.39740
  Beta virt. eigenvalues --    3.40717   3.40786   3.46083   3.46341   3.47651
  Beta virt. eigenvalues --    3.47916   3.48894   3.49154   3.49694   3.50377
  Beta virt. eigenvalues --    3.53374   3.54831   3.55378   3.55426   3.68408
  Beta virt. eigenvalues --    3.68545   3.70785   3.71287   3.78631   3.78704
  Beta virt. eigenvalues --    3.82142   3.86600   3.95506   3.98902   4.00905
  Beta virt. eigenvalues --    4.00924   4.12313   4.12379   5.69742   5.72421
  Beta virt. eigenvalues --    5.72579   5.73213   5.74467   5.80737   5.82516
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    1.332608   0.000197
     2  C    0.845742   0.000492
     3  C    0.454227   0.002457
     4  C    1.082972  -0.017127
     5  C   -3.853478   0.020752
     6  C    1.416364  -0.001551
     7  C   -5.464632  -0.000877
     8  O   -0.212470   0.093746
     9  Cu   0.285714   0.617504
    10  O   -0.155417   0.087610
    11  C   -1.158733  -0.011814
    12  C    1.587332   0.013715
    13  F   -0.451585   0.000674
    14  C    2.155860   0.000565
    15  C    2.122451  -0.000251
    16  C    2.311828   0.000350
    17  O   -0.214787   0.093764
    18  C    1.085062  -0.017110
    19  C   -3.852336   0.020765
    20  C   -5.466012  -0.000879
    21  C    0.844957   0.000492
    22  C    0.456386   0.002458
    23  C    1.332679   0.000197
    24  C    1.416126  -0.001549
    25  C    2.311653   0.000349
    26  C    2.122952  -0.000251
    27  C    2.156038   0.000564
    28  C   -1.160207  -0.011831
    29  C    1.586977   0.013712
    30  F   -0.451613   0.000672
    31  O   -0.155101   0.087601
    32  F   -0.458136   0.000891
    33  F   -0.504834  -0.000065
    34  F   -0.504983  -0.000064
    35  F   -0.458100   0.000890
    36  H    0.040050   0.000397
    37  H   -0.390591   0.000734
    38  H   -0.075480   0.000058
    39  H   -0.519440  -0.000110
    40  H   -0.609159  -0.000120
    41  H   -0.109769  -0.000129
    42  H    0.097958   0.000004
    43  H    0.171121   0.000004
    44  H   -0.181299  -0.000055
    45  H    0.082766   0.000259
    46  H    0.094070   0.000030
    47  H    0.065583   0.000098
    48  H    0.114985   0.000269
    49  H    0.026631   0.000038
    50  H    0.098043   0.000004
    51  H   -0.110356  -0.000131
    52  H    0.171098   0.000004
    53  H    0.094172   0.000031
    54  H    0.082742   0.000260
    55  H   -0.181248  -0.000055
    56  H   -0.074921   0.000058
    57  H   -0.520051  -0.000110
    58  H   -0.390105   0.000735
    59  H    0.040152   0.000396
    60  H   -0.609343  -0.000120
    61  H    0.115143   0.000270
    62  H    0.065774   0.000099
    63  H    0.025969   0.000037
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.737635   0.000144
     2  C    0.236400   0.000372
     3  C    0.454227   0.002457
     4  C    1.082972  -0.017127
     5  C   -3.853478   0.020752
     6  C    1.066411  -0.000421
     7  C   -5.464632  -0.000877
     8  O   -0.212470   0.093746
     9  Cu   0.285714   0.617504
    10  O   -0.155417   0.087610
    11  C   -1.158733  -0.011814
    12  C    1.587332   0.013715
    13  F   -0.451585   0.000674
    14  C    2.362746   0.000971
    15  C    2.118118  -0.000016
    16  C    2.470614   0.000227
    17  O   -0.214787   0.093764
    18  C    1.085062  -0.017110
    19  C   -3.852336   0.020765
    20  C   -5.466012  -0.000879
    21  C    0.235798   0.000372
    22  C    0.456386   0.002458
    23  C    0.737759   0.000145
    24  C    1.065585  -0.000418
    25  C    2.470963   0.000228
    26  C    2.118490  -0.000016
    27  C    2.363238   0.000970
    28  C   -1.160207  -0.011831
    29  C    1.586977   0.013712
    30  F   -0.451613   0.000672
    31  O   -0.155101   0.087601
    32  F   -0.458136   0.000891
    33  F   -0.504834  -0.000065
    34  F   -0.504983  -0.000064
    35  F   -0.458100   0.000890
 Electronic spatial extent (au):  <R**2>=          19806.3054
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0016    Y=             -0.0015    Z=              0.7526  Tot=              0.7526
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -185.9515   YY=           -228.5639   ZZ=           -209.7764
   XY=             22.1008   XZ=              0.0057   YZ=              0.0014
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             22.1458   YY=            -20.4667   ZZ=             -1.6792
   XY=             22.1008   XZ=              0.0057   YZ=              0.0014
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0487  YYY=              0.0082  ZZZ=            -25.5955  XYY=              0.0022
  XXY=             -0.0035  XXZ=              5.7051  XZZ=             -0.0043  YZZ=              0.0083
  YYZ=              0.5483  XYZ=             -6.9773
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18321.4003 YYYY=          -5370.4772 ZZZZ=          -1573.3307 XXXY=            -74.7334
 XXXZ=              0.0929 YYYX=           -204.6817 YYYZ=              0.0076 ZZZX=             -0.0051
 ZZZY=             -0.0172 XXYY=          -4094.6770 XXZZ=          -3436.7631 YYZZ=          -1135.3620
 XXYZ=             -0.0272 YYXZ=              0.0161 ZZXY=           -104.6217
 N-N= 4.927325549161D+03 E-N=-1.805970539548D+04  KE= 3.449254123884D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00010      -0.11653      -0.04158      -0.03887
     2  C(13)             -0.00056      -0.63422      -0.22631      -0.21155
     3  C(13)             -0.00072      -0.81325      -0.29019      -0.27127
     4  C(13)             -0.00599      -6.72935      -2.40120      -2.24467
     5  C(13)              0.00975      10.95555       3.90921       3.65438
     6  C(13)             -0.00080      -0.89697      -0.32006      -0.29920
     7  C(13)             -0.00035      -0.39469      -0.14084      -0.13166
     8  O(17)              0.10204     -61.85532     -22.07152     -20.63271
     9  Cu(63)            -0.08139     -96.53458     -34.44594     -32.20047
    10  O(17)              0.10343     -62.70036     -22.37305     -20.91459
    11  C(13)              0.00019       0.21909       0.07818       0.07308
    12  C(13)              0.02118      23.80554       8.49441       7.94067
    13  F(19)              0.00116       4.89735       1.74750       1.63358
    14  C(13)             -0.00051      -0.57559      -0.20538      -0.19200
    15  C(13)              0.00046       0.52247       0.18643       0.17428
    16  C(13)              0.00002       0.01736       0.00619       0.00579
    17  O(17)              0.10208     -61.87811     -22.07965     -20.64031
    18  C(13)             -0.00599      -6.73278      -2.40242      -2.24581
    19  C(13)              0.00975      10.95826       3.91018       3.65528
    20  C(13)             -0.00035      -0.39590      -0.14127      -0.13206
    21  C(13)             -0.00056      -0.63403      -0.22624      -0.21149
    22  C(13)             -0.00072      -0.81263      -0.28997      -0.27106
    23  C(13)             -0.00010      -0.11680      -0.04168      -0.03896
    24  C(13)             -0.00080      -0.89526      -0.31945      -0.29863
    25  C(13)              0.00002       0.01737       0.00620       0.00579
    26  C(13)              0.00046       0.52273       0.18652       0.17436
    27  C(13)             -0.00051      -0.57541      -0.20532      -0.19194
    28  C(13)              0.00020       0.22436       0.08006       0.07484
    29  C(13)              0.02117      23.79953       8.49226       7.93867
    30  F(19)              0.00116       4.87873       1.74085       1.62737
    31  O(17)              0.10341     -62.68949     -22.36917     -20.91096
    32  F(19)              0.00177       7.45073       2.65861       2.48530
    33  F(19)             -0.00031      -1.28884      -0.45989      -0.42991
    34  F(19)             -0.00031      -1.28921      -0.46002      -0.43003
    35  F(19)              0.00177       7.43748       2.65388       2.48088
    36  H(1)               0.00016       0.73007       0.26051       0.24352
    37  H(1)               0.00006       0.27766       0.09908       0.09262
    38  H(1)               0.00001       0.03622       0.01292       0.01208
    39  H(1)              -0.00001      -0.03454      -0.01232      -0.01152
    40  H(1)               0.00010       0.44485       0.15873       0.14839
    41  H(1)              -0.00001      -0.02545      -0.00908      -0.00849
    42  H(1)               0.00000       0.00754       0.00269       0.00252
    43  H(1)              -0.00000      -0.00758      -0.00270      -0.00253
    44  H(1)              -0.00001      -0.02496      -0.00891      -0.00833
    45  H(1)               0.00007       0.32968       0.11764       0.10997
    46  H(1)              -0.00000      -0.00249      -0.00089      -0.00083
    47  H(1)               0.00000       0.01616       0.00577       0.00539
    48  H(1)               0.00005       0.22316       0.07963       0.07444
    49  H(1)               0.00001       0.06338       0.02262       0.02114
    50  H(1)               0.00000       0.00778       0.00278       0.00260
    51  H(1)              -0.00001      -0.02567      -0.00916      -0.00856
    52  H(1)              -0.00000      -0.00766      -0.00273      -0.00255
    53  H(1)              -0.00000      -0.00240      -0.00086      -0.00080
    54  H(1)               0.00007       0.33010       0.11779       0.11011
    55  H(1)              -0.00001      -0.02497      -0.00891      -0.00833
    56  H(1)               0.00001       0.03599       0.01284       0.01201
    57  H(1)              -0.00001      -0.03452      -0.01232      -0.01151
    58  H(1)               0.00006       0.27776       0.09911       0.09265
    59  H(1)               0.00016       0.72752       0.25960       0.24268
    60  H(1)               0.00010       0.44533       0.15890       0.14855
    61  H(1)               0.00005       0.22367       0.07981       0.07461
    62  H(1)               0.00000       0.01627       0.00581       0.00543
    63  H(1)               0.00001       0.06312       0.02252       0.02106
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001723     -0.000924     -0.000799
     2   Atom        0.002253     -0.000873     -0.001379
     3   Atom        0.001564      0.011839     -0.013403
     4   Atom        0.022432     -0.003563     -0.018869
     5   Atom        0.017269     -0.004815     -0.012454
     6   Atom        0.001603     -0.000864     -0.000740
     7   Atom        0.002526     -0.000883     -0.001643
     8   Atom       -0.023076      0.190775     -0.167699
     9   Atom        1.692639      1.698769     -3.391408
    10   Atom       -0.127238      0.276436     -0.149198
    11   Atom        0.016898     -0.002339     -0.014559
    12   Atom       -0.002814      0.013082     -0.010269
    13   Atom       -0.001106      0.005533     -0.004427
    14   Atom        0.000793      0.000761     -0.001553
    15   Atom        0.001641     -0.000789     -0.000852
    16   Atom        0.001045     -0.001030     -0.000015
    17   Atom       -0.023325      0.191015     -0.167690
    18   Atom        0.022440     -0.003554     -0.018885
    19   Atom        0.017256     -0.004795     -0.012460
    20   Atom        0.002527     -0.000885     -0.001642
    21   Atom        0.002252     -0.000874     -0.001378
    22   Atom        0.001565      0.011839     -0.013404
    23   Atom        0.001723     -0.000925     -0.000799
    24   Atom        0.001602     -0.000865     -0.000737
    25   Atom        0.001045     -0.001029     -0.000016
    26   Atom        0.001641     -0.000788     -0.000852
    27   Atom        0.000792      0.000761     -0.001553
    28   Atom        0.016897     -0.002349     -0.014548
    29   Atom       -0.002805      0.013072     -0.010267
    30   Atom       -0.001100      0.005518     -0.004419
    31   Atom       -0.127008      0.276089     -0.149081
    32   Atom        0.000430      0.003492     -0.003922
    33   Atom       -0.000060      0.002135     -0.002075
    34   Atom       -0.000060      0.002135     -0.002075
    35   Atom        0.000422      0.003497     -0.003919
    36   Atom        0.000886     -0.000356     -0.000530
    37   Atom        0.001046     -0.000788     -0.000258
    38   Atom        0.001056     -0.000557     -0.000499
    39   Atom        0.001341     -0.000954     -0.000388
    40   Atom        0.001813     -0.000730     -0.001084
    41   Atom        0.001229     -0.001628      0.000399
    42   Atom        0.000569     -0.000720      0.000151
    43   Atom        0.000781     -0.000678     -0.000103
    44   Atom        0.000955     -0.000431     -0.000524
    45   Atom        0.000779     -0.000373     -0.000406
    46   Atom        0.000688     -0.000313     -0.000374
    47   Atom       -0.000056      0.002048     -0.001992
    48   Atom        0.000431      0.000417     -0.000848
    49   Atom        0.000190      0.000377     -0.000567
    50   Atom        0.000568     -0.000721      0.000153
    51   Atom        0.001230     -0.001631      0.000400
    52   Atom        0.000780     -0.000678     -0.000102
    53   Atom        0.000687     -0.000314     -0.000374
    54   Atom        0.000779     -0.000373     -0.000405
    55   Atom        0.000955     -0.000431     -0.000524
    56   Atom        0.001056     -0.000557     -0.000499
    57   Atom        0.001341     -0.000953     -0.000389
    58   Atom        0.001047     -0.000789     -0.000258
    59   Atom        0.000887     -0.000357     -0.000530
    60   Atom        0.001813     -0.000729     -0.001084
    61   Atom        0.000432      0.000416     -0.000848
    62   Atom       -0.000054      0.002044     -0.001991
    63   Atom        0.000191      0.000378     -0.000569
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000211     -0.000987      0.000014
     2   Atom       -0.000459     -0.000083     -0.000026
     3   Atom       -0.001938      0.000251     -0.000956
     4   Atom        0.002939      0.001666      0.002043
     5   Atom        0.014372      0.000980      0.000576
     6   Atom        0.001207     -0.001099     -0.000460
     7   Atom       -0.000444      0.001049     -0.000086
     8   Atom        0.279974      0.064295      0.094438
     9   Atom       -0.009592     -0.003722     -0.000875
    10   Atom       -0.182311     -0.039562      0.104552
    11   Atom       -0.005670     -0.000928      0.001640
    12   Atom       -0.011872     -0.001184      0.002414
    13   Atom       -0.005554      0.001423     -0.002590
    14   Atom        0.002131      0.000663      0.000689
    15   Atom        0.000520      0.000455      0.000099
    16   Atom        0.000171      0.001466      0.000042
    17   Atom        0.279973     -0.064461     -0.094675
    18   Atom        0.002954     -0.001628     -0.002023
    19   Atom        0.014393     -0.000946     -0.000560
    20   Atom       -0.000440     -0.001046      0.000084
    21   Atom       -0.000458      0.000084      0.000026
    22   Atom       -0.001949     -0.000251      0.000950
    23   Atom        0.000213      0.000988     -0.000013
    24   Atom        0.001210      0.001102      0.000462
    25   Atom        0.000171     -0.001464     -0.000042
    26   Atom        0.000521     -0.000452     -0.000099
    27   Atom        0.002131     -0.000664     -0.000690
    28   Atom       -0.005663      0.000941     -0.001656
    29   Atom       -0.011876      0.001184     -0.002414
    30   Atom       -0.005543     -0.001419      0.002580
    31   Atom       -0.182437      0.039612     -0.104594
    32   Atom       -0.007708      0.003841     -0.005020
    33   Atom       -0.002246      0.000535     -0.000666
    34   Atom       -0.002247     -0.000534      0.000668
    35   Atom       -0.007696     -0.003831      0.005014
    36   Atom        0.000886      0.000580      0.000287
    37   Atom        0.001429      0.001689      0.000897
    38   Atom        0.000101      0.000472     -0.000005
    39   Atom       -0.000035      0.001319     -0.000057
    40   Atom       -0.000505     -0.000180     -0.000035
    41   Atom        0.000067     -0.002576      0.000058
    42   Atom        0.000430     -0.001144     -0.000313
    43   Atom       -0.000075     -0.000981      0.000078
    44   Atom        0.000357      0.000002      0.000025
    45   Atom        0.000078     -0.000315      0.000006
    46   Atom        0.000444     -0.000437     -0.000182
    47   Atom        0.002300     -0.000119     -0.000155
    48   Atom        0.001150     -0.000297     -0.000341
    49   Atom        0.001694     -0.001184     -0.001493
    50   Atom        0.000431      0.001147      0.000314
    51   Atom        0.000067      0.002580     -0.000059
    52   Atom       -0.000075      0.000982     -0.000078
    53   Atom        0.000444      0.000438      0.000182
    54   Atom        0.000078      0.000316     -0.000006
    55   Atom        0.000356     -0.000002     -0.000024
    56   Atom        0.000100     -0.000471      0.000005
    57   Atom       -0.000036     -0.001316      0.000057
    58   Atom        0.001426     -0.001688     -0.000894
    59   Atom        0.000884     -0.000579     -0.000287
    60   Atom       -0.000506      0.000182      0.000035
    61   Atom        0.001150      0.000297      0.000340
    62   Atom        0.002300      0.000118      0.000152
    63   Atom        0.001695      0.001184      0.001492
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0012    -0.157    -0.056    -0.052  0.3262 -0.3323  0.8850
     1 C(13)  Bbb    -0.0009    -0.122    -0.043    -0.041  0.0500  0.9409  0.3349
              Bcc     0.0021     0.279     0.099     0.093  0.9440  0.0651 -0.3236
 
              Baa    -0.0014    -0.186    -0.066    -0.062  0.0328  0.0802  0.9962
     2 C(13)  Bbb    -0.0009    -0.126    -0.045    -0.042  0.1399  0.9866 -0.0841
              Bcc     0.0023     0.311     0.111     0.104  0.9896 -0.1422 -0.0211
 
              Baa    -0.0134    -1.804    -0.644    -0.602 -0.0120  0.0369  0.9992
     3 C(13)  Bbb     0.0012     0.163     0.058     0.054  0.9837  0.1798  0.0051
              Bcc     0.0122     1.641     0.586     0.547 -0.1795  0.9830 -0.0384
 
              Baa    -0.0192    -2.573    -0.918    -0.858 -0.0310 -0.1240  0.9918
     4 C(13)  Bbb    -0.0037    -0.492    -0.176    -0.164 -0.1186  0.9857  0.1195
              Bcc     0.0228     3.066     1.094     1.023  0.9925  0.1140  0.0452
 
              Baa    -0.0125    -1.677    -0.599    -0.560  0.0332 -0.1362  0.9901
     5 C(13)  Bbb    -0.0119    -1.595    -0.569    -0.532 -0.4417  0.8867  0.1368
              Bcc     0.0244     3.272     1.168     1.092  0.8966  0.4419  0.0307
 
              Baa    -0.0014    -0.182    -0.065    -0.061 -0.3603  0.9313  0.0526
     6 C(13)  Bbb    -0.0012    -0.157    -0.056    -0.053  0.3375  0.0776  0.9381
              Bcc     0.0025     0.339     0.121     0.113  0.8696  0.3558 -0.3423
 
              Baa    -0.0019    -0.254    -0.091    -0.085 -0.2329 -0.0192  0.9723
     7 C(13)  Bbb    -0.0009    -0.126    -0.045    -0.042  0.1131  0.9925  0.0467
              Bcc     0.0028     0.380     0.136     0.127  0.9659 -0.1208  0.2290
 
              Baa    -0.2159    15.620     5.573     5.210  0.8210 -0.5705  0.0227
     8 O(17)  Bbb    -0.1904    13.779     4.917     4.596 -0.1297 -0.1476  0.9805
              Bcc     0.4063   -29.399   -10.490    -9.806  0.5560  0.8079  0.1952
 
              Baa    -3.3914  -480.162  -171.334  -160.165  0.0007  0.0002  1.0000
     9 Cu(63) Bbb     1.6856   238.655    85.158    79.607  0.8075  0.5898 -0.0007
              Bcc     1.7058   241.506    86.175    80.558 -0.5898  0.8075  0.0003
 
              Baa    -0.1974    14.284     5.097     4.765  0.9312  0.3637 -0.0246
    10 O(17)  Bbb    -0.1732    12.534     4.473     4.181  0.0989 -0.1871  0.9773
              Bcc     0.3706   -26.818    -9.569    -8.946 -0.3509  0.9125  0.2102
 
              Baa    -0.0148    -1.983    -0.708    -0.661  0.0061 -0.1280  0.9918
    11 C(13)  Bbb    -0.0037    -0.500    -0.178    -0.167  0.2683  0.9556  0.1216
              Bcc     0.0185     2.482     0.886     0.828  0.9633 -0.2653 -0.0402
 
              Baa    -0.0105    -1.411    -0.504    -0.471 -0.0177 -0.1105  0.9937
    12 C(13)  Bbb    -0.0091    -1.227    -0.438    -0.409  0.8831  0.4643  0.0673
              Bcc     0.0197     2.639     0.941     0.880 -0.4689  0.8787  0.0894
 
              Baa    -0.0051    -2.543    -0.908    -0.848 -0.0613  0.2065  0.9765
    13 F(19)  Bbb    -0.0043    -2.137    -0.763    -0.713  0.8741  0.4834 -0.0474
              Bcc     0.0093     4.680     1.670     1.561 -0.4819  0.8507 -0.2101
 
              Baa    -0.0018    -0.235    -0.084    -0.078 -0.1047 -0.1795  0.9782
    14 C(13)  Bbb    -0.0014    -0.182    -0.065    -0.061  0.7117 -0.7005 -0.0524
              Bcc     0.0031     0.416     0.149     0.139  0.6946  0.6907  0.2011
 
              Baa    -0.0009    -0.125    -0.045    -0.042 -0.1336 -0.1892  0.9728
    15 C(13)  Bbb    -0.0009    -0.120    -0.043    -0.040 -0.2251  0.9617  0.1562
              Bcc     0.0018     0.245     0.088     0.082  0.9651  0.1981  0.1711
 
              Baa    -0.0011    -0.148    -0.053    -0.049 -0.4431  0.6926  0.5692
    16 C(13)  Bbb    -0.0010    -0.131    -0.047    -0.044  0.3667  0.7194 -0.5899
              Bcc     0.0021     0.279     0.100     0.093  0.8180  0.0526  0.5727
 
              Baa    -0.2159    15.626     5.576     5.212  0.8214 -0.5700 -0.0210
    17 O(17)  Bbb    -0.1905    13.786     4.919     4.599  0.1285  0.1490  0.9805
              Bcc     0.4065   -29.412   -10.495    -9.811  0.5557  0.8080 -0.1956
 
              Baa    -0.0192    -2.574    -0.919    -0.859  0.0301  0.1227  0.9920
    18 C(13)  Bbb    -0.0037    -0.492    -0.176    -0.164 -0.1189  0.9858 -0.1183
              Bcc     0.0229     3.067     1.094     1.023  0.9924  0.1144 -0.0443
 
              Baa    -0.0125    -1.678    -0.599    -0.560 -0.0341  0.1357  0.9902
    19 C(13)  Bbb    -0.0119    -1.595    -0.569    -0.532 -0.4422  0.8864 -0.1367
              Bcc     0.0244     3.273     1.168     1.092  0.8963  0.4425 -0.0297
 
              Baa    -0.0019    -0.254    -0.091    -0.085  0.2323  0.0204  0.9724
    20 C(13)  Bbb    -0.0009    -0.126    -0.045    -0.042  0.1117  0.9926 -0.0476
              Bcc     0.0028     0.380     0.135     0.127  0.9662 -0.1197 -0.2283
 
              Baa    -0.0014    -0.186    -0.066    -0.062 -0.0330 -0.0798  0.9963
    21 C(13)  Bbb    -0.0009    -0.126    -0.045    -0.042  0.1397  0.9867  0.0836
              Bcc     0.0023     0.311     0.111     0.104  0.9896 -0.1419  0.0214
 
              Baa    -0.0134    -1.804    -0.644    -0.602  0.0119 -0.0366  0.9993
    22 C(13)  Bbb     0.0012     0.162     0.058     0.054  0.9835  0.1807 -0.0051
              Bcc     0.0122     1.642     0.586     0.548 -0.1804  0.9828  0.0382
 
              Baa    -0.0012    -0.157    -0.056    -0.052 -0.3269  0.3323  0.8847
    23 C(13)  Bbb    -0.0009    -0.122    -0.044    -0.041  0.0496  0.9409 -0.3350
              Bcc     0.0021     0.279     0.099     0.093  0.9438  0.0657  0.3240
 
              Baa    -0.0014    -0.182    -0.065    -0.061 -0.3611  0.9311 -0.0517
    24 C(13)  Bbb    -0.0012    -0.157    -0.056    -0.053 -0.3379 -0.0790  0.9378
              Bcc     0.0025     0.340     0.121     0.113  0.8691  0.3561  0.3432
 
              Baa    -0.0011    -0.148    -0.053    -0.049 -0.4434  0.6915 -0.5703
    25 C(13)  Bbb    -0.0010    -0.131    -0.047    -0.044  0.3658  0.7205  0.5891
              Bcc     0.0021     0.279     0.100     0.093  0.8183  0.0526 -0.5724
 
              Baa    -0.0009    -0.125    -0.045    -0.042  0.1325  0.1894  0.9729
    26 C(13)  Bbb    -0.0009    -0.120    -0.043    -0.040 -0.2256  0.9616 -0.1565
              Bcc     0.0018     0.245     0.088     0.082  0.9652  0.1987 -0.1702
 
              Baa    -0.0018    -0.235    -0.084    -0.078  0.1048  0.1797  0.9781
    27 C(13)  Bbb    -0.0014    -0.182    -0.065    -0.061  0.7119 -0.7003  0.0524
              Bcc     0.0031     0.417     0.149     0.139  0.6944  0.6908 -0.2013
 
              Baa    -0.0148    -1.982    -0.707    -0.661 -0.0063  0.1293  0.9916
    28 C(13)  Bbb    -0.0037    -0.500    -0.178    -0.167  0.2680  0.9555 -0.1229
              Bcc     0.0185     2.482     0.886     0.828  0.9634 -0.2650  0.0407
 
              Baa    -0.0105    -1.411    -0.503    -0.471  0.0180  0.1108  0.9937
    29 C(13)  Bbb    -0.0091    -1.227    -0.438    -0.409  0.8829  0.4646 -0.0678
              Bcc     0.0197     2.638     0.941     0.880 -0.4692  0.8786 -0.0894
 
              Baa    -0.0051    -2.538    -0.905    -0.846  0.0616 -0.2060  0.9766
    30 F(19)  Bbb    -0.0042    -2.132    -0.761    -0.711  0.8739  0.4838  0.0469
              Bcc     0.0093     4.669     1.666     1.557 -0.4821  0.8506  0.2099
 
              Baa    -0.1973    14.279     5.095     4.763  0.9309  0.3644  0.0257
    31 O(17)  Bbb    -0.1731    12.528     4.470     4.179 -0.1002  0.1869  0.9773
              Bcc     0.3705   -26.807    -9.565    -8.942 -0.3513  0.9123 -0.2104
 
              Baa    -0.0065    -3.243    -1.157    -1.082  0.0464  0.4784  0.8769
    32 F(19)  Bbb    -0.0058    -2.925    -1.044    -0.976  0.8077  0.4986 -0.3148
              Bcc     0.0123     6.169     2.201     2.058 -0.5878  0.7229 -0.3633
 
              Baa    -0.0022    -1.112    -0.397    -0.371 -0.1887  0.0526  0.9806
    33 F(19)  Bbb    -0.0014    -0.728    -0.260    -0.243  0.8290  0.5438  0.1303
              Bcc     0.0037     1.840     0.656     0.614 -0.5264  0.8376 -0.1462
 
              Baa    -0.0022    -1.111    -0.397    -0.371  0.1866 -0.0543  0.9809
    34 F(19)  Bbb    -0.0015    -0.728    -0.260    -0.243  0.8296  0.5436 -0.1277
              Bcc     0.0037     1.840     0.656     0.614 -0.5263  0.8376  0.1464
 
              Baa    -0.0064    -3.239    -1.156    -1.080 -0.0461 -0.4779  0.8772
    35 F(19)  Bbb    -0.0058    -2.921    -1.042    -0.974  0.8079  0.4986  0.3141
              Bcc     0.0123     6.160     2.198     2.055 -0.5874  0.7232  0.3631
 
              Baa    -0.0008    -0.436    -0.156    -0.146 -0.4921  0.8604  0.1322
    36 H(1)   Bbb    -0.0007    -0.389    -0.139    -0.130 -0.1977 -0.2584  0.9456
              Bcc     0.0015     0.826     0.295     0.275  0.8478  0.4392  0.2972
 
              Baa    -0.0016    -0.838    -0.299    -0.280 -0.5240  0.8464  0.0957
    37 H(1)   Bbb    -0.0014    -0.742    -0.265    -0.248 -0.3929 -0.3398  0.8545
              Bcc     0.0030     1.580     0.564     0.527  0.7557  0.4101  0.5106
 
              Baa    -0.0006    -0.343    -0.123    -0.115 -0.2693  0.3651  0.8912
    38 H(1)   Bbb    -0.0005    -0.293    -0.105    -0.098  0.0493  0.9294 -0.3659
              Bcc     0.0012     0.637     0.227     0.212  0.9618  0.0546  0.2682
 
              Baa    -0.0011    -0.591    -0.211    -0.197 -0.4609  0.2132  0.8615
    39 H(1)   Bbb    -0.0009    -0.506    -0.180    -0.169  0.1178  0.9768 -0.1787
              Bcc     0.0021     1.096     0.391     0.366  0.8796 -0.0191  0.4753
 
              Baa    -0.0011    -0.592    -0.211    -0.198  0.0976  0.2193  0.9708
    40 H(1)   Bbb    -0.0008    -0.432    -0.154    -0.144  0.1683  0.9577 -0.2333
              Bcc     0.0019     1.024     0.365     0.342  0.9809 -0.1861 -0.0566
 
              Baa    -0.0018    -0.978    -0.349    -0.326  0.5966 -0.3945  0.6989
    41 H(1)   Bbb    -0.0016    -0.848    -0.303    -0.283  0.2539  0.9189  0.3019
              Bcc     0.0034     1.826     0.652     0.609  0.7613  0.0027 -0.6484
 
              Baa    -0.0009    -0.459    -0.164    -0.153 -0.4770  0.8323 -0.2825
    42 H(1)   Bbb    -0.0008    -0.417    -0.149    -0.139  0.4562  0.5091  0.7299
              Bcc     0.0016     0.876     0.313     0.292  0.7513  0.2193 -0.6225
 
              Baa    -0.0007    -0.399    -0.142    -0.133  0.4919 -0.3584  0.7935
    43 H(1)   Bbb    -0.0007    -0.359    -0.128    -0.120  0.2344  0.9322  0.2758
              Bcc     0.0014     0.758     0.270     0.253  0.8385 -0.0503 -0.5425
 
              Baa    -0.0005    -0.290    -0.104    -0.097  0.1513 -0.6398  0.7535
    44 H(1)   Bbb    -0.0005    -0.265    -0.095    -0.088 -0.1811  0.7314  0.6574
              Bcc     0.0010     0.556     0.198     0.185  0.9718  0.2359  0.0052
 
              Baa    -0.0005    -0.261    -0.093    -0.087  0.2479 -0.2166  0.9443
    45 H(1)   Bbb    -0.0004    -0.199    -0.071    -0.066 -0.0047  0.9744  0.2247
              Bcc     0.0009     0.460     0.164     0.153  0.9688  0.0601 -0.2405
 
              Baa    -0.0005    -0.288    -0.103    -0.096  0.2045  0.3392  0.9182
    46 H(1)   Bbb    -0.0005    -0.255    -0.091    -0.085 -0.4206  0.8775 -0.2305
              Bcc     0.0010     0.543     0.194     0.181  0.8839  0.3390 -0.3221
 
              Baa    -0.0020    -1.067    -0.381    -0.356  0.0491  0.0104  0.9987
    47 H(1)   Bbb    -0.0015    -0.818    -0.292    -0.273  0.8402 -0.5412 -0.0356
              Bcc     0.0035     1.885     0.673     0.629  0.5401  0.8408 -0.0353
 
              Baa    -0.0009    -0.498    -0.178    -0.166  0.0165  0.2313  0.9727
    48 H(1)   Bbb    -0.0007    -0.385    -0.137    -0.128  0.7176 -0.6802  0.1496
              Bcc     0.0017     0.883     0.315     0.295  0.6962  0.6956 -0.1772
 
              Baa    -0.0017    -0.888    -0.317    -0.296 -0.0919  0.6363  0.7660
    49 H(1)   Bbb    -0.0013    -0.709    -0.253    -0.236  0.7997 -0.4112  0.4375
              Bcc     0.0030     1.597     0.570     0.533  0.5934  0.6528 -0.4710
 
              Baa    -0.0009    -0.460    -0.164    -0.153 -0.4763  0.8333  0.2805
    50 H(1)   Bbb    -0.0008    -0.418    -0.149    -0.139 -0.4575 -0.5073  0.7303
              Bcc     0.0016     0.878     0.313     0.293  0.7509  0.2195  0.6229
 
              Baa    -0.0018    -0.979    -0.349    -0.327 -0.5964  0.3953  0.6986
    51 H(1)   Bbb    -0.0016    -0.850    -0.303    -0.283  0.2547  0.9185 -0.3024
              Bcc     0.0034     1.829     0.653     0.610  0.7612  0.0024  0.6485
 
              Baa    -0.0007    -0.399    -0.142    -0.133 -0.4919  0.3605  0.7925
    52 H(1)   Bbb    -0.0007    -0.360    -0.128    -0.120  0.2356  0.9314 -0.2774
              Bcc     0.0014     0.758     0.271     0.253  0.8382 -0.0503  0.5431
 
              Baa    -0.0005    -0.288    -0.103    -0.096 -0.2052 -0.3389  0.9182
    53 H(1)   Bbb    -0.0005    -0.255    -0.091    -0.085 -0.4203  0.8777  0.2300
              Bcc     0.0010     0.543     0.194     0.181  0.8839  0.3387  0.3226
 
              Baa    -0.0005    -0.261    -0.093    -0.087 -0.2486  0.2176  0.9439
    54 H(1)   Bbb    -0.0004    -0.199    -0.071    -0.066 -0.0039  0.9742 -0.2256
              Bcc     0.0009     0.460     0.164     0.153  0.9686  0.0598  0.2413
 
              Baa    -0.0005    -0.290    -0.104    -0.097 -0.1514  0.6397  0.7535
    55 H(1)   Bbb    -0.0005    -0.265    -0.095    -0.088 -0.1803  0.7317 -0.6574
              Bcc     0.0010     0.556     0.198     0.185  0.9719  0.2354 -0.0046
 
              Baa    -0.0006    -0.343    -0.122    -0.114  0.2685 -0.3649  0.8915
    56 H(1)   Bbb    -0.0005    -0.293    -0.105    -0.098  0.0495  0.9295  0.3655
              Bcc     0.0012     0.636     0.227     0.212  0.9620  0.0540 -0.2676
 
              Baa    -0.0011    -0.590    -0.211    -0.197  0.4604 -0.2129  0.8618
    57 H(1)   Bbb    -0.0009    -0.505    -0.180    -0.168  0.1180  0.9769  0.1783
              Bcc     0.0021     1.095     0.391     0.365  0.8798 -0.0196 -0.4749
 
              Baa    -0.0016    -0.837    -0.299    -0.279 -0.5245  0.8457 -0.0985
    58 H(1)   Bbb    -0.0014    -0.741    -0.265    -0.247  0.3914  0.3423  0.8542
              Bcc     0.0030     1.578     0.563     0.527  0.7561  0.4094 -0.5105
 
              Baa    -0.0008    -0.436    -0.156    -0.145 -0.4914  0.8608 -0.1323
    59 H(1)   Bbb    -0.0007    -0.389    -0.139    -0.130  0.1977  0.2581  0.9457
              Bcc     0.0015     0.825     0.295     0.275  0.8482  0.4386 -0.2970
 
              Baa    -0.0011    -0.592    -0.211    -0.198 -0.0982 -0.2189  0.9708
    60 H(1)   Bbb    -0.0008    -0.432    -0.154    -0.144  0.1686  0.9577  0.2330
              Bcc     0.0019     1.024     0.366     0.342  0.9808 -0.1866  0.0571
 
              Baa    -0.0009    -0.498    -0.178    -0.166 -0.0169 -0.2310  0.9728
    61 H(1)   Bbb    -0.0007    -0.385    -0.137    -0.128  0.7173 -0.6806 -0.1492
              Bcc     0.0017     0.883     0.315     0.295  0.6965  0.6953  0.1772
 
              Baa    -0.0020    -1.066    -0.380    -0.356 -0.0489 -0.0098  0.9988
    62 H(1)   Bbb    -0.0015    -0.817    -0.292    -0.273  0.8399 -0.5416  0.0359
              Bcc     0.0035     1.883     0.672     0.628  0.5406  0.8406  0.0347
 
              Baa    -0.0017    -0.889    -0.317    -0.296  0.0917 -0.6358  0.7664
    63 H(1)   Bbb    -0.0013    -0.709    -0.253    -0.236  0.7996 -0.4116 -0.4372
              Bcc     0.0030     1.597     0.570     0.533  0.5934  0.6529  0.4707
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 18:39:23 2021, MaxMem= 16106127360 cpu:              92.8 elap:              10.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0068    0.0069       19.0446   19.0413
 2     -0.0068   -0.0069        0.0009    0.0009     -100.4684 -100.4646
 3    -19.0447  -19.0413      145.2705  145.2653       -0.0009   -0.0009
 4     -0.0009   -0.0009        0.0000    0.0000      -19.0576  -19.0413
 5    -44.8022  -44.8007       19.0576   19.0413        0.0068    0.0069
 6      0.0009    0.0009       -0.0068   -0.0069        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0206   -0.0206       57.1240   57.1240
 2     -0.0028   -0.0028       -0.0000    0.0000       57.1240   57.1240
 3     -0.0028   -0.0028       -0.0206   -0.0206       -0.0000    0.0000
 4     -0.0206   -0.0206        0.0027    0.0028     -301.3938 -301.3938
 5    -57.1240  -57.1240      435.7958  435.7958       -0.0028   -0.0028
 6   -134.4020 -134.4020       57.1240   57.1240        0.0206    0.0206
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0098    0.0000       -0.0476   -0.0275      -77.2076  -76.1654
 2      0.0275    0.0275       -0.0050   -0.0037      400.9887  401.8584
 3     76.3846   76.1654     -580.7698 -581.0611       -0.0007    0.0037
 4      0.0036    0.0037        0.0002    0.0000       76.0195   76.1654
 5    179.2698  179.2027      -75.9882  -76.1654       -0.0259   -0.0275
 6     -0.0026   -0.0037        0.0272    0.0275       -0.1179    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0151    0.0000       -2.5377   -2.5253      184.2587  183.4576
 2      2.2770    2.5253        0.5818    0.2459      168.3335  130.5351
 3   -144.9368 -183.4576     -166.0966 -207.0481       -1.9242   -0.2459
 4     -0.2823   -0.2459       -0.0196    0.0000     -180.3137 -183.4576
 5     78.5768   76.5130      185.0355  183.4576       -2.4916   -2.5253
 6      0.2066    0.2459        2.5598    2.5253       11.7740    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1354   -0.1309       -0.0555   -0.0459      111.1778  111.3864
 2     -0.1022   -0.0974       -0.0643   -0.0582      111.1328  111.3864
 3     -0.1024   -0.0974       -0.0476   -0.0459      109.6536  109.1170
 4      0.0020    0.0123       -0.0072   -0.0336      -27.9291  -30.6054
 5     -2.2672   -2.2694      -54.3583  -55.4605       -0.0046    0.0336
 6     84.8245   86.0659        3.3155    2.2694       -0.0128   -0.0123
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--     15.5156                 0.9895                 0.3194
  Dep-P Fr= 1--      0.3231                 0.3893                 0.7493
  Dep-U Fr= 1--      0.4884                 0.5605                 0.8567
 Alpha2 Fr= 1--      0.1483                 0.0076                 0.0000
 Beta2  Fr= 1--      1.2629                 0.0924                 0.0456
 AlphaG Fr= 1--      1.7705                 0.2497                 0.0000
 Gamma2 Fr= 1--     18.2548                 0.4166                 9.1224
 Delta2 Fr= 1--      1.0153                -0.0824                 0.1030
 Raman1 Fr= 1--      62.062                  3.958                  1.277
 ROA1   Fr= 1--    1784.945                 37.353                879.051
 CID1   Fr= 1--      28.761                  9.437                688.128
 Raman2 Fr= 1--      15.155                  1.109                  0.547
 ROA2   Fr= 1--     429.992                 10.657                218.114
 CID2   Fr= 1--      28.373                  9.609                398.598
 Raman3 Fr= 1--      30.309                  2.218                  1.094
 ROA3   Fr= 1--    1784.945                 37.353                879.051
 CID3   Fr= 1--      58.891                 16.839                803.222
 RC180  Fr= 1--      -0.023                  0.121                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      0.3161                 0.0631                 0.0902
  Dep-P Fr= 1--      0.4043                 0.7293                 0.7476
  Dep-U Fr= 1--      0.5758                 0.8435                 0.8556
 Alpha2 Fr= 1--      0.0023                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0303                 0.0089                 0.0129
 AlphaG Fr= 1--     -0.0049                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.4094                10.2303                -0.6224
 Delta2 Fr= 1--      0.0693                 0.1566                -0.0691
 Raman1 Fr= 1--       1.265                  0.252                  0.361
 ROA1   Fr= 1--      41.517                987.123                -61.966
 CID1   Fr= 1--      32.831               3911.556               -171.713
 Raman2 Fr= 1--       0.364                  0.106                  0.154
 ROA2   Fr= 1--       9.270                244.276                -14.385
 CID2   Fr= 1--      25.463               2295.138                -93.183
 Raman3 Fr= 1--       0.728                  0.213                  0.309
 ROA3   Fr= 1--      41.517                987.123                -61.966
 CID3   Fr= 1--      57.021               4637.354               -200.697
 RC180  Fr= 1--       0.152                  0.687                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      0.1937                 1.2829               627.6929
  Dep-P Fr= 1--      0.3111                 0.7496                 0.3291
  Dep-U Fr= 1--      0.4746                 0.8569                 0.4953
 Alpha2 Fr= 1--      0.0019                 0.0000                 5.8890
 Beta2  Fr= 1--      0.0153                 0.1832                51.8123
 AlphaG Fr= 1--      0.1506                 0.0001                47.9453
 Gamma2 Fr= 1--      0.9352               -27.3347               480.5381
 Delta2 Fr= 1--     -0.0826                -0.9836                -1.7808
 Raman1 Fr= 1--       0.775                  5.132               2510.772
 ROA1   Fr= 1--      87.138              -2655.612              46074.669
 CID1   Fr= 1--     112.447               -517.506                 18.351
 Raman2 Fr= 1--       0.184                  2.199                621.748
 ROA2   Fr= 1--      23.105               -648.165              11547.160
 CID2   Fr= 1--     125.643               -294.806                 18.572
 Raman3 Fr= 1--       0.368                  4.397               1243.496
 ROA3   Fr= 1--      87.138              -2655.612              46074.669
 CID3   Fr= 1--     236.920               -603.929                 37.053
 RC180  Fr= 1--      -0.051                  0.714                 -0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--      3.3641                 2.0992               167.6840
  Dep-P Fr= 1--      0.3376                 0.7456                 0.3597
  Dep-U Fr= 1--      0.5048                 0.8542                 0.5290
 Alpha2 Fr= 1--      0.0307                 0.0002                 1.4264
 Beta2  Fr= 1--      0.2830                 0.2989                14.7854
 AlphaG Fr= 1--      0.5351                 0.0016                12.7169
 Gamma2 Fr= 1--      3.3855                11.2721               -43.0916
 Delta2 Fr= 1--     -0.0219                 1.1082                -3.7645
 Raman1 Fr= 1--      13.456                  8.397                670.736
 ROA1   Fr= 1--     324.309               1117.583              -4257.255
 CID1   Fr= 1--      24.101                133.095                 -6.347
 Raman2 Fr= 1--       3.396                  3.586                177.425
 ROA2   Fr= 1--      81.427                261.664              -1004.082
 CID2   Fr= 1--      23.977                 72.959                 -5.659
 Raman3 Fr= 1--       6.792                  7.173                354.850
 ROA3   Fr= 1--     324.309               1117.583              -4257.255
 CID3   Fr= 1--      47.748                155.806                -11.997
 RC180  Fr= 1--       0.010                  0.708                  0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.6607                 3.1160               461.4626
  Dep-P Fr= 1--      0.6845                 0.6120                 0.3120
  Dep-U Fr= 1--      0.8127                 0.7593                 0.4756
 Alpha2 Fr= 1--      0.0008                 0.0079                 4.5651
 Beta2  Fr= 1--      0.0895                 0.3943                36.5763
 AlphaG Fr= 1--      0.0066                 0.6735                36.9810
 Gamma2 Fr= 1--      1.8874                33.9629               490.6036
 Delta2 Fr= 1--      0.2062                 0.4807                -1.5699
 Raman1 Fr= 1--       2.643                 12.464               1845.851
 ROA1   Fr= 1--     187.792               3275.823              47047.705
 CID1   Fr= 1--      71.057                262.824                 25.488
 Raman2 Fr= 1--       1.074                  4.732                438.915
 ROA2   Fr= 1--      43.649                811.265              11787.045
 CID2   Fr= 1--      40.645                171.443                 26.855
 Raman3 Fr= 1--       2.148                  9.464                877.830
 ROA3   Fr= 1--     187.792               3275.823              47047.705
 CID3   Fr= 1--      87.434                346.137                 53.595
 RC180  Fr= 1--       0.625                  0.519                 -0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.0444                94.3311                 0.1369
  Dep-P Fr= 1--      0.7498                 0.2960                 0.7497
  Dep-U Fr= 1--      0.8570                 0.4568                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.9791                 0.0000
 Beta2  Fr= 1--      0.0063                 7.1819                 0.0196
 AlphaG Fr= 1--     -0.0000                 7.1443                -0.0000
 Gamma2 Fr= 1--     -4.0703                97.6955                 4.8310
 Delta2 Fr= 1--     -0.0997                -0.8542                 0.0631
 Raman1 Fr= 1--       0.178                377.324                  0.548
 ROA1   Fr= 1--    -393.938               9351.433                465.792
 CID1   Fr= 1--   -2216.444                 24.784                850.723
 Raman2 Fr= 1--       0.076                 86.183                  0.235
 ROA2   Fr= 1--     -96.889               2351.525                115.438
 CID2   Fr= 1--   -1272.136                 27.285                492.053
 Raman3 Fr= 1--       0.152                172.366                  0.469
 ROA3   Fr= 1--    -393.938               9351.433                465.792
 CID3   Fr= 1--   -2586.176                 54.253                992.719
 RC180  Fr= 1--       0.714                 -0.086                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      0.4633                 4.5466                 0.3556
  Dep-P Fr= 1--      0.3606                 0.3037                 0.7472
  Dep-U Fr= 1--      0.5301                 0.4659                 0.8553
 Alpha2 Fr= 1--      0.0039                 0.0461                 0.0000
 Beta2  Fr= 1--      0.0409                 0.3531                 0.0507
 AlphaG Fr= 1--      0.0041                 0.0401                 0.0001
 Gamma2 Fr= 1--      4.8196                 2.9914                24.7643
 Delta2 Fr= 1--      0.0330                -0.2768                 1.0495
 Raman1 Fr= 1--       1.853                 18.186                  1.423
 ROA1   Fr= 1--     463.738                278.314               2410.956
 CID1   Fr= 1--     250.261                 15.303               1694.848
 Raman2 Fr= 1--       0.491                  4.237                  0.608
 ROA2   Fr= 1--     115.407                 74.007                585.947
 CID2   Fr= 1--     234.986                 17.467                963.205
 Raman3 Fr= 1--       0.982                  8.474                  1.217
 ROA3   Fr= 1--     463.738                278.314               2410.956
 CID3   Fr= 1--     472.119                 32.844               1981.615
 RC180  Fr= 1--       0.060                 -0.068                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--     81.7756              1163.5434                 1.2426
  Dep-P Fr= 1--      0.2513                 0.3143                 0.7475
  Dep-U Fr= 1--      0.4016                 0.4783                 0.8555
 Alpha2 Fr= 1--      0.9657                11.4288                 0.0001
 Beta2  Fr= 1--      5.4739                92.7499                 0.1772
 AlphaG Fr= 1--      9.4349               122.8161                 0.0006
 Gamma2 Fr= 1--     72.9793               529.4762                 8.8213
 Delta2 Fr= 1--      0.5046                -5.2906                 2.8057
 Raman1 Fr= 1--     327.102               4654.173                  4.970
 ROA1   Fr= 1--    7022.162              50660.413                936.625
 CID1   Fr= 1--      21.468                 10.885                188.440
 Raman2 Fr= 1--      65.687               1112.999                  2.126
 ROA2   Fr= 1--    1747.466              12749.753                189.265
 CID2   Fr= 1--      26.603                 11.455                 89.021
 Raman3 Fr= 1--     131.374               2225.998                  4.252
 ROA3   Fr= 1--    7022.162              50660.413                936.625
 CID3   Fr= 1--      53.452                 22.759                220.272
 RC180  Fr= 1--      -0.197                 -0.043                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.3810                63.2343                 0.0245
  Dep-P Fr= 1--      0.4667                 0.2788                 0.7497
  Dep-U Fr= 1--      0.6364                 0.4361                 0.8570
 Alpha2 Fr= 1--      0.0022                 0.6903                 0.0000
 Beta2  Fr= 1--      0.0404                 4.5956                 0.0035
 AlphaG Fr= 1--      0.0247                 7.9055                 0.0000
 Gamma2 Fr= 1--      1.7602                 1.5983                 4.0809
 Delta2 Fr= 1--     -0.1503                -3.4735                -0.4419
 Raman1 Fr= 1--       1.524                252.937                  0.098
 ROA1   Fr= 1--     164.171                 42.288                377.623
 CID1   Fr= 1--     107.736                  0.167               3857.649
 Raman2 Fr= 1--       0.485                 55.147                  0.042
 ROA2   Fr= 1--      43.447                 66.148                101.477
 CID2   Fr= 1--      89.606                  1.199               2419.362
 Raman3 Fr= 1--       0.970                110.295                  0.084
 ROA3   Fr= 1--     164.171                 42.288                377.623
 CID3   Fr= 1--     169.294                  0.383               4501.550
 RC180  Fr= 1--       0.273                 -0.128                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--    561.4505                 2.0485                15.4954
  Dep-P Fr= 1--      0.3563                 0.7499                 0.5745
  Dep-U Fr= 1--      0.5254                 0.8571                 0.7297
 Alpha2 Fr= 1--      4.8287                 0.0000                 0.0512
 Beta2  Fr= 1--     49.1655                 0.2926                 1.8846
 AlphaG Fr= 1--     55.4771                 0.0001                 1.1581
 Gamma2 Fr= 1--    355.7936                41.2397               -44.3050
 Delta2 Fr= 1--      2.1470                 4.0885                -0.6523
 Raman1 Fr= 1--    2245.802                  8.194                 61.982
 ROA1   Fr= 1--   34224.889               4089.842              -4274.155
 CID1   Fr= 1--      15.239                499.122                -68.959
 Raman2 Fr= 1--     589.986                  3.511                 22.615
 ROA2   Fr= 1--    8521.870                957.045              -1058.102
 CID2   Fr= 1--      14.444                272.552                -46.787
 Raman3 Fr= 1--    1179.972                  7.023                 45.230
 ROA3   Fr= 1--   34224.889               4089.842              -4274.155
 CID3   Fr= 1--      29.005                582.363                -94.498
 RC180  Fr= 1--       0.051                  0.714                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--      0.2976                 0.2724                17.2796
  Dep-P Fr= 1--      0.7488                 0.7499                 0.3240
  Dep-U Fr= 1--      0.8563                 0.8571                 0.4894
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1648
 Beta2  Fr= 1--      0.0425                 0.0389                 1.4094
 AlphaG Fr= 1--      0.0001                 0.0000                 3.7836
 Gamma2 Fr= 1--     10.3225                -2.8777               -22.4079
 Delta2 Fr= 1--     -0.2239                 0.5806                -1.1651
 Raman1 Fr= 1--       1.190                  1.089                 69.118
 ROA1   Fr= 1--     983.793               -257.679              -2188.446
 CID1   Fr= 1--     826.433               -236.514                -31.662
 Raman2 Fr= 1--       0.510                  0.467                 16.912
 ROA2   Fr= 1--     249.531                -73.709               -528.470
 CID2   Fr= 1--     489.568               -157.873                -31.247
 Raman3 Fr= 1--       1.019                  0.934                 33.825
 ROA3   Fr= 1--     983.793               -257.679              -2188.446
 CID3   Fr= 1--     965.077               -275.953                -64.699
 RC180  Fr= 1--       0.713                  0.714                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--     37.3011                 0.1205                 0.3270
  Dep-P Fr= 1--      0.2001                 0.7499                 0.4696
  Dep-U Fr= 1--      0.3335                 0.8571                 0.6391
 Alpha2 Fr= 1--      0.5064                 0.0000                 0.0018
 Beta2  Fr= 1--      2.0735                 0.0172                 0.0348
 AlphaG Fr= 1--      5.0203                 0.0000                 0.0338
 Gamma2 Fr= 1--    -92.8057                12.1214                 2.9588
 Delta2 Fr= 1--     -3.3218                -1.1453                -0.4389
 Raman1 Fr= 1--     149.205                  0.482                  1.308
 ROA1   Fr= 1--   -9015.650               1127.009                269.997
 CID1   Fr= 1--     -60.425               2337.480                206.444
 Raman2 Fr= 1--      24.882                  0.207                  0.418
 ROA2   Fr= 1--   -2200.763                300.077                 74.522
 CID2   Fr= 1--     -88.447               1452.337                178.314
 Raman3 Fr= 1--      49.765                  0.413                  0.836
 ROA3   Fr= 1--   -9015.650               1127.009                269.997
 CID3   Fr= 1--    -181.166               2727.294                323.023
 RC180  Fr= 1--      -0.333                  0.714                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--    168.3786               201.5571                 1.0597
  Dep-P Fr= 1--      0.3466                 0.3423                 0.4019
  Dep-U Fr= 1--      0.5148                 0.5100                 0.5734
 Alpha2 Fr= 1--      1.4945                 1.8141                 0.0078
 Beta2  Fr= 1--     14.4463                17.1317                 0.1013
 AlphaG Fr= 1--     25.0854                13.4755                 0.0581
 Gamma2 Fr= 1--    180.9974                52.7404                -3.9406
 Delta2 Fr= 1--      0.4535                 3.3344                 0.5840
 Raman1 Fr= 1--     673.515                806.228                  4.239
 ROA1   Fr= 1--   17390.261               5169.776               -359.607
 CID1   Fr= 1--      25.820                  6.412                -84.835
 Raman2 Fr= 1--     173.356                205.580                  1.215
 ROA2   Fr= 1--    4340.309               1239.094                -99.245
 CID2   Fr= 1--      25.037                  6.027                -81.669
 Raman3 Fr= 1--     346.712                411.160                  2.430
 ROA3   Fr= 1--   17390.261               5169.776               -359.607
 CID3   Fr= 1--      50.158                 12.574               -147.960
 RC180  Fr= 1--       0.030                  0.020                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--   1167.2673                 2.4849                 5.3492
  Dep-P Fr= 1--      0.2980                 0.7499                 0.1410
  Dep-U Fr= 1--      0.4592                 0.8570                 0.2472
 Alpha2 Fr= 1--     12.0442                 0.0000                 0.0846
 Beta2  Fr= 1--     89.3254                 0.3549                 0.2204
 AlphaG Fr= 1--    126.8248                -0.0001                 0.9786
 Gamma2 Fr= 1--    121.5282               133.4576                 0.2748
 Delta2 Fr= 1--     -9.2397                 5.8933                 0.3514
 Raman1 Fr= 1--    4669.069                  9.940                 21.397
 ROA1   Fr= 1--   11371.042              13000.515                 37.626
 CID1   Fr= 1--       2.435               1307.942                  1.758
 Raman2 Fr= 1--    1071.905                  4.259                  2.644
 ROA2   Fr= 1--    2990.595               3155.836                  3.784
 CID2   Fr= 1--       2.790                740.914                  1.431
 Raman3 Fr= 1--    2143.811                  8.519                  5.289
 ROA3   Fr= 1--   11371.042              13000.515                 37.626
 CID3   Fr= 1--       5.304               1526.104                  7.114
 RC180  Fr= 1--      -0.082                  0.714                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      0.1976               505.0582               712.5519
  Dep-P Fr= 1--      0.7486                 0.3376                 0.3104
  Dep-U Fr= 1--      0.8562                 0.5048                 0.4737
 Alpha2 Fr= 1--      0.0000                 4.6142                 7.0833
 Beta2  Fr= 1--      0.0282                42.4886                56.2574
 AlphaG Fr= 1--     -0.0000                64.4386                43.6728
 Gamma2 Fr= 1--      2.7314              -103.2771                76.4629
 Delta2 Fr= 1--      1.0088               -19.1947                12.3927
 Raman1 Fr= 1--       0.791               2020.233               2850.208
 ROA1   Fr= 1--     294.494             -10528.838               7737.003
 CID1   Fr= 1--     372.517                 -5.212                  2.715
 Raman2 Fr= 1--       0.338                509.863                675.089
 ROA2   Fr= 1--      57.483              -2325.094               1735.968
 CID2   Fr= 1--     169.840                 -4.560                  2.571
 Raman3 Fr= 1--       0.677               1019.727               1350.178
 ROA3   Fr= 1--     294.494             -10528.838               7737.003
 CID3   Fr= 1--     435.062                -10.325                  5.730
 RC180  Fr= 1--       0.712                  0.010                 -0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--      2.9211                 1.6597               325.1760
  Dep-P Fr= 1--      0.7075                 0.7457                 0.2668
  Dep-U Fr= 1--      0.8287                 0.8543                 0.4212
 Alpha2 Fr= 1--      0.0022                 0.0001                 3.6753
 Beta2  Fr= 1--      0.4034                 0.2363                22.8265
 AlphaG Fr= 1--      0.0149                 0.0006                39.7812
 Gamma2 Fr= 1--     10.3054               249.6211                21.5254
 Delta2 Fr= 1--      1.6910                12.1782               -14.0027
 Raman1 Fr= 1--      11.684                  6.639               1300.704
 ROA1   Fr= 1--    1043.429              24353.328               1618.356
 CID1   Fr= 1--      89.302               3668.270                  1.244
 Raman2 Fr= 1--       4.841                  2.836                273.918
 ROA2   Fr= 1--     233.801               5893.482                628.632
 CID2   Fr= 1--      48.294               2078.166                  2.295
 Raman3 Fr= 1--       9.682                  5.672                547.836
 ROA3   Fr= 1--    1043.429              24353.328               1618.356
 CID3   Fr= 1--     107.765               4293.749                  2.954
 RC180  Fr= 1--       0.657                  0.709                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--      4.6633              1219.0758                 3.7590
  Dep-P Fr= 1--      0.7379                 0.3301                 0.6354
  Dep-U Fr= 1--      0.8492                 0.4963                 0.7771
 Alpha2 Fr= 1--      0.0010                11.4041                 0.0078
 Beta2  Fr= 1--      0.6600               100.8415                 0.4868
 AlphaG Fr= 1--      0.0062               104.0120                 0.0651
 Gamma2 Fr= 1--    308.7999              1151.4773                65.6174
 Delta2 Fr= 1--     11.8372                20.2814                 8.4881
 Raman1 Fr= 1--      18.653               4876.303                 15.036
 ROA1   Fr= 1--   30023.581             111190.826               6570.890
 CID1   Fr= 1--    1609.568                 22.802                437.016
 Raman2 Fr= 1--       7.920               1210.098                  5.842
 ROA2   Fr= 1--    7316.500              27473.204               1506.913
 CID2   Fr= 1--     923.820                 22.703                257.945
 Raman3 Fr= 1--      15.840               2420.197                 11.684
 ROA3   Fr= 1--   30023.581             111190.826               6570.890
 CID3   Fr= 1--    1895.468                 45.943                562.384
 RC180  Fr= 1--       0.698                 -0.007                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--   1678.5238                 2.2630              2438.9681
  Dep-P Fr= 1--      0.2946                 0.7423                 0.3216
  Dep-U Fr= 1--      0.4551                 0.8521                 0.4867
 Alpha2 Fr= 1--     17.4940                 0.0003                23.4252
 Beta2  Fr= 1--    127.3276                 0.3214               197.8335
 AlphaG Fr= 1--    136.8581                 0.0018               197.6385
 Gamma2 Fr= 1--    491.6712               197.6901               767.6749
 Delta2 Fr= 1--      0.5879                 7.6721               -30.3660
 Raman1 Fr= 1--    6714.095                  9.052               9755.872
 ROA1   Fr= 1--   47219.247              19223.762              72725.074
 CID1   Fr= 1--       7.033               2123.662                  7.454
 Raman2 Fr= 1--    1527.931                  3.857               2374.003
 ROA2   Fr= 1--   11795.405               4683.186              18667.125
 CID2   Fr= 1--       7.720               1214.351                  7.863
 Raman3 Fr= 1--    3055.862                  7.713               4748.005
 ROA3   Fr= 1--   47219.247              19223.762              72725.074
 CID3   Fr= 1--      15.452               2492.362                 15.317
 RC180  Fr= 1--      -0.090                  0.704                 -0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--      0.2462               319.8030                 2.7959
  Dep-P Fr= 1--      0.5350                 0.3458                 0.7424
  Dep-U Fr= 1--      0.6971                 0.5138                 0.8521
 Alpha2 Fr= 1--      0.0010                 2.8463                 0.0004
 Beta2  Fr= 1--      0.0286                27.3883                 0.3971
 AlphaG Fr= 1--      0.0065                37.1502                 0.0028
 Gamma2 Fr= 1--     -0.2949               102.6334               315.2446
 Delta2 Fr= 1--     -1.0227                -1.7782                 5.9277
 Raman1 Fr= 1--       0.985               1279.212                 11.183
 ROA1   Fr= 1--     -61.040               9795.908              30453.164
 CID1   Fr= 1--     -61.983                  7.658               2723.054
 Raman2 Fr= 1--       0.343                328.659                  4.765
 ROA2   Fr= 1--       1.103               2477.428               7518.448
 CID2   Fr= 1--       3.214                  7.538               1577.889
 Raman3 Fr= 1--       0.686                657.319                  9.530
 ROA3   Fr= 1--     -61.040               9795.908              30453.164
 CID3   Fr= 1--     -88.918                 14.903               3195.588
 RC180  Fr= 1--       0.394                  0.028                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--   2566.0975                 2.7749                15.1988
  Dep-P Fr= 1--      0.3427                 0.7500                 0.0803
  Dep-U Fr= 1--      0.5104                 0.8571                 0.1487
 Alpha2 Fr= 1--     23.0665                 0.0000                 0.2792
 Beta2  Fr= 1--    218.3010                 0.3964                 0.3767
 AlphaG Fr= 1--    265.0294                -0.0001                -3.5892
 Gamma2 Fr= 1--   1062.1423               246.8986                -1.2199
 Delta2 Fr= 1--    -15.1631                 7.0531                 0.2969
 Raman1 Fr= 1--   10264.390                 11.100                 60.795
 ROA1   Fr= 1--  101480.444              23927.965               -107.611
 CID1   Fr= 1--       9.887               2155.766                 -1.770
 Raman2 Fr= 1--    2619.612                  4.757                  4.520
 ROA2   Fr= 1--   25612.721               5869.141                -31.653
 CID2   Fr= 1--       9.777               1233.827                 -7.003
 Raman3 Fr= 1--    5239.224                  9.514                  9.041
 ROA3   Fr= 1--  101480.444              23927.965               -107.611
 CID3   Fr= 1--      19.369               2515.101                -11.903
 RC180  Fr= 1--       0.021                  0.714                 -0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--      1.6425               570.6688                 1.4050
  Dep-P Fr= 1--      0.7500                 0.3449                 0.7259
  Dep-U Fr= 1--      0.8571                 0.5129                 0.8412
 Alpha2 Fr= 1--      0.0000                 5.0925                 0.0006
 Beta2  Fr= 1--      0.2346                48.7864                 0.1970
 AlphaG Fr= 1--      0.0000                52.5736                 0.0056
 Gamma2 Fr= 1--    -54.4371               274.2471                74.8187
 Delta2 Fr= 1--      2.5988               -25.1358                 1.5604
 Raman1 Fr= 1--       6.570               2282.675                  5.620
 ROA1   Fr= 1--   -5142.806              25523.372               7232.528
 CID1   Fr= 1--    -782.759                 11.181               1286.903
 Raman2 Fr= 1--       2.816                585.437                  2.364
 ROA2   Fr= 1--   -1327.282               6783.016               1783.165
 CID2   Fr= 1--    -471.376                 11.586                754.343
 Raman3 Fr= 1--       5.632               1170.874                  4.728
 ROA3   Fr= 1--   -5142.806              25523.372               7232.528
 CID3   Fr= 1--    -913.219                 21.799               1529.809
 RC180  Fr= 1--       0.714                  0.026                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--    103.0520                 5.7654                45.8972
  Dep-P Fr= 1--      0.1213                 0.7459                 0.2109
  Dep-U Fr= 1--      0.2163                 0.8545                 0.3483
 Alpha2 Fr= 1--      1.7121                 0.0004                 0.6055
 Beta2  Fr= 1--      3.7156                 0.8211                 2.6643
 AlphaG Fr= 1--      8.8891                 0.0007                 9.6861
 Gamma2 Fr= 1--   -166.4130               438.2783                75.0238
 Delta2 Fr= 1--     -6.5986                21.1562                 1.0120
 Raman1 Fr= 1--     412.208                 23.062                183.589
 ROA1   Fr= 1--  -16186.801              42751.710               7234.672
 CID1   Fr= 1--     -39.269               1853.794                 39.407
 Raman2 Fr= 1--      44.587                  9.853                 31.972
 ROA2   Fr= 1--   -3941.123              10349.429               1792.476
 CID2   Fr= 1--     -88.392               1050.398                 56.065
 Raman3 Fr= 1--      89.174                 19.706                 63.943
 ROA3   Fr= 1--  -16186.801              42751.710               7234.672
 CID3   Fr= 1--    -181.519               2169.507                113.142
 RC180  Fr= 1--      -0.567                  0.709                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      4.2228                12.3393               766.8254
  Dep-P Fr= 1--      0.7435                 0.4788                 0.3253
  Dep-U Fr= 1--      0.8529                 0.6476                 0.4909
 Alpha2 Fr= 1--      0.0005                 0.0670                 7.2808
 Beta2  Fr= 1--      0.6002                 1.3317                62.7411
 AlphaG Fr= 1--      0.0062                 0.8294                88.4777
 Gamma2 Fr= 1--    138.5924               176.7149               650.2029
 Delta2 Fr= 1--      9.1267                 8.1479                 1.7710
 Raman1 Fr= 1--      16.891                 49.357               3067.302
 ROA1   Fr= 1--   13596.927              17225.359              62476.148
 CID1   Fr= 1--     804.963                348.994                 20.368
 Raman2 Fr= 1--       7.203                 15.981                752.893
 ROA2   Fr= 1--    3253.205               4175.974              15590.702
 CID2   Fr= 1--     451.650                261.309                 20.708
 Raman3 Fr= 1--      14.406                 31.962               1505.785
 ROA3   Fr= 1--   13596.927              17225.359              62476.148
 CID3   Fr= 1--     943.845                538.933                 41.491
 RC180  Fr= 1--       0.706                  0.295                 -0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--      0.8534               486.3145               106.2674
  Dep-P Fr= 1--      0.7293                 0.3761                 0.3839
  Dep-U Fr= 1--      0.8434                 0.5466                 0.5548
 Alpha2 Fr= 1--      0.0003                 3.9156                 0.8330
 Beta2  Fr= 1--      0.1200                44.3017                 9.8261
 AlphaG Fr= 1--      0.0024                31.5233                 7.4922
 Gamma2 Fr= 1--     80.5968                73.4294              -104.6909
 Delta2 Fr= 1--      2.5031                 0.3853                -3.1999
 Raman1 Fr= 1--       3.414               1945.258                425.069
 ROA1   Fr= 1--    7817.391               7061.551             -10152.725
 CID1   Fr= 1--    2290.030                  3.630                -23.885
 Raman2 Fr= 1--       1.440                531.620                117.913
 ROA2   Fr= 1--    1914.298               1759.223              -2486.982
 CID2   Fr= 1--    1329.718                  3.309                -21.092
 Raman3 Fr= 1--       2.879               1063.240                235.826
 ROA3   Fr= 1--    7817.391               7061.551             -10152.725
 CID3   Fr= 1--    2715.076                  6.642                -43.052
 RC180  Fr= 1--       0.687                  0.093                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--      2.4450                 1.3764                23.7924
  Dep-P Fr= 1--      0.7389                 0.7495                 0.3354
  Dep-U Fr= 1--      0.8498                 0.8568                 0.5024
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.2188
 Beta2  Fr= 1--      0.3463                 0.1966                 1.9921
 AlphaG Fr= 1--      0.0021                 0.0003                 4.5624
 Gamma2 Fr= 1--    380.5161               -20.8042                23.8119
 Delta2 Fr= 1--     15.7730                 0.6847                 1.6760
 Raman1 Fr= 1--       9.780                  5.506                 95.169
 ROA1   Fr= 1--   37034.282              -1975.293               2339.570
 CID1   Fr= 1--    3786.708               -358.772                 24.583
 Raman2 Fr= 1--       4.156                  2.359                 23.905
 ROA2   Fr= 1--    9006.203               -504.778                558.077
 CID2   Fr= 1--    2167.205               -214.000                 23.346
 Raman3 Fr= 1--       8.311                  4.718                 47.810
 ROA3   Fr= 1--   37034.282              -1975.293               2339.570
 CID3   Fr= 1--    4455.866               -418.712                 48.935
 RC180  Fr= 1--       0.700                  0.714                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--      1.8525               191.6881                 4.5093
  Dep-P Fr= 1--      0.4009                 0.3676                 0.3966
  Dep-U Fr= 1--      0.5724                 0.5376                 0.5679
 Alpha2 Fr= 1--      0.0137                 1.5880                 0.0338
 Beta2  Fr= 1--      0.1767                17.1752                 0.4268
 AlphaG Fr= 1--      0.0921                10.6976                 1.6937
 Gamma2 Fr= 1--    -42.6759               311.0431                40.5558
 Delta2 Fr= 1--     -1.8672                 0.3918                 2.7104
 Raman1 Fr= 1--       7.410                766.752                 18.037
 ROA1   Fr= 1--   -4156.640              29872.677               3980.090
 CID1   Fr= 1--    -560.942                 38.960                220.659
 Raman2 Fr= 1--       2.121                206.102                  5.122
 ROA2   Fr= 1--   -1009.285               7461.900                951.657
 CID2   Fr= 1--    -475.941                 36.205                185.805
 Raman3 Fr= 1--       4.241                412.204                 10.244
 ROA3   Fr= 1--   -4156.640              29872.677               3980.090
 CID3   Fr= 1--    -980.058                 72.471                388.545
 RC180  Fr= 1--       0.145                  0.075                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--      8.7777                14.9543                 6.1711
  Dep-P Fr= 1--      0.7386                 0.3327                 0.5962
  Dep-U Fr= 1--      0.8497                 0.4993                 0.7470
 Alpha2 Fr= 1--      0.0017                 0.1388                 0.0176
 Beta2  Fr= 1--      1.2430                 1.2443                 0.7683
 AlphaG Fr= 1--      0.0681                 0.6610                 0.0817
 Gamma2 Fr= 1--    384.6833                -0.2018                28.6105
 Delta2 Fr= 1--     11.3748                 0.0539                 1.9382
 Raman1 Fr= 1--      35.111                 59.817                 24.684
 ROA1   Fr= 1--   37293.591                -17.646               2808.629
 CID1   Fr= 1--    1062.170                 -0.295                113.781
 Raman2 Fr= 1--      14.916                 14.932                  9.220
 ROA2   Fr= 1--    9141.401                 -5.274                671.145
 CID2   Fr= 1--     612.849                 -0.353                 72.794
 Raman3 Fr= 1--      29.832                 29.864                 18.440
 ROA3   Fr= 1--   37293.591                -17.646               2808.629
 CID3   Fr= 1--    1250.100                 -0.591                152.316
 RC180  Fr= 1--       0.699                 -0.001                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--    323.9073                47.4502                 0.9003
  Dep-P Fr= 1--      0.3984                 0.4156                 0.7154
  Dep-U Fr= 1--      0.5698                 0.5871                 0.8341
 Alpha2 Fr= 1--      2.4133                 0.3322                 0.0005
 Beta2  Fr= 1--     30.7587                 4.6433                 0.1252
 AlphaG Fr= 1--     18.3851                 2.5475                -0.0174
 Gamma2 Fr= 1--     43.6093                87.0633                 3.0618
 Delta2 Fr= 1--     -9.2173                 4.1042                -1.1965
 Raman1 Fr= 1--    1295.629                189.801                  3.601
 ROA1   Fr= 1--    3891.536               8489.409                255.642
 CID1   Fr= 1--       3.004                 44.728                 70.989
 Raman2 Fr= 1--     369.104                 55.719                  1.502
 ROA2   Fr= 1--    1120.360               2056.685                 83.055
 CID2   Fr= 1--       3.035                 36.912                 55.303
 Raman3 Fr= 1--     738.209                111.438                  3.004
 ROA3   Fr= 1--    3891.536               8489.409                255.642
 CID3   Fr= 1--       5.272                 76.180                 85.111
 RC180  Fr= 1--       0.140                  0.174                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--      2.9189                 4.3534                10.6704
  Dep-P Fr= 1--      0.7478                 0.6004                 0.5992
  Dep-U Fr= 1--      0.8557                 0.7503                 0.7494
 Alpha2 Fr= 1--      0.0001                 0.0121                 0.0298
 Beta2  Fr= 1--      0.4163                 0.5444                 1.3327
 AlphaG Fr= 1--     -0.0035                 0.0490                 0.1218
 Gamma2 Fr= 1--      9.4492                -0.5331                -0.8995
 Delta2 Fr= 1--      1.2454                -0.6839                -1.2056
 Raman1 Fr= 1--      11.675                 17.414                 42.682
 ROA1   Fr= 1--     946.980                -73.061               -124.931
 CID1   Fr= 1--      81.109                 -4.196                 -2.927
 Raman2 Fr= 1--       4.995                  6.533                 15.993
 ROA2   Fr= 1--     216.818                 -7.323                -11.944
 CID2   Fr= 1--      43.406                 -1.121                 -0.747
 Raman3 Fr= 1--       9.990                 13.066                 31.986
 ROA3   Fr= 1--     946.980                -73.061               -124.931
 CID3   Fr= 1--      94.789                 -5.592                 -3.906
 RC180  Fr= 1--       0.711                  0.501                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--      6.6701                 7.8173                11.7966
  Dep-P Fr= 1--      0.6959                 0.5702                 0.2949
  Dep-U Fr= 1--      0.8207                 0.7263                 0.4554
 Alpha2 Fr= 1--      0.0063                 0.0265                 0.1229
 Beta2  Fr= 1--      0.9123                 0.9463                 0.8954
 AlphaG Fr= 1--     -0.2138                -0.9324                 0.8029
 Gamma2 Fr= 1--     40.1217                30.5072                 9.6008
 Delta2 Fr= 1--      1.8331                 1.2336                 1.1623
 Raman1 Fr= 1--      26.680                 31.269                 47.186
 ROA1   Fr= 1--    3910.342               2968.165                958.870
 CID1   Fr= 1--     146.563                 94.924                 20.321
 Raman2 Fr= 1--      10.948                 11.356                 10.745
 ROA2   Fr= 1--     948.256                722.304                221.120
 CID2   Fr= 1--      86.615                 63.608                 20.579
 Raman3 Fr= 1--      21.896                 22.711                 21.490
 ROA3   Fr= 1--    3910.342               2968.165                958.870
 CID3   Fr= 1--     178.587                130.692                 44.619
 RC180  Fr= 1--       0.641                  0.453                 -0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--     15.5711                17.1878                 1.7875
  Dep-P Fr= 1--      0.2842                 0.3535                 0.4662
  Dep-U Fr= 1--      0.4427                 0.5223                 0.6359
 Alpha2 Fr= 1--      0.1673                 0.1492                 0.0103
 Beta2  Fr= 1--      1.1488                 1.4962                 0.1895
 AlphaG Fr= 1--      1.0962                 2.6342                 0.1826
 Gamma2 Fr= 1--      6.4939               -50.5471               -24.0018
 Delta2 Fr= 1--      1.3601                -1.4175                -1.9035
 Raman1 Fr= 1--      62.285                 68.751                  7.150
 ROA1   Fr= 1--     666.934              -4897.878              -2365.082
 CID1   Fr= 1--      10.708                -71.241               -330.788
 Raman2 Fr= 1--      13.785                 17.954                  2.273
 ROA2   Fr= 1--     144.972              -1201.790               -560.814
 CID2   Fr= 1--      10.517                -66.936               -246.685
 Raman3 Fr= 1--      27.570                 35.909                  4.547
 ROA3   Fr= 1--     666.934              -4897.878              -2365.082
 CID3   Fr= 1--      24.190               -136.398               -520.163
 RC180  Fr= 1--      -0.115                  0.045                  0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--      0.3792                80.0114               523.9354
  Dep-P Fr= 1--      0.6955                 0.3330                 0.3948
  Dep-U Fr= 1--      0.8204                 0.4997                 0.5661
 Alpha2 Fr= 1--      0.0004                 0.7415                 3.9540
 Beta2  Fr= 1--      0.0519                 6.6632                49.4294
 AlphaG Fr= 1--     -0.0032                -7.6360               -10.6037
 Gamma2 Fr= 1--     16.5595               -23.5903               -46.6567
 Delta2 Fr= 1--      0.8526                 6.2075                10.6017
 Raman1 Fr= 1--       1.517                320.046               2095.741
 ROA1   Fr= 1--    1616.997              -2066.028              -4139.792
 CID1   Fr= 1--    1066.044                 -6.455                 -1.975
 Raman2 Fr= 1--       0.622                 79.959                593.153
 ROA2   Fr= 1--     390.608               -615.827              -1204.575
 CID2   Fr= 1--     627.760                 -7.702                 -2.031
 Raman3 Fr= 1--       1.244                159.917               1186.306
 ROA3   Fr= 1--    1616.997              -2066.028              -4139.792
 CID3   Fr= 1--    1299.366                -12.919                 -3.490
 RC180  Fr= 1--       0.641                 -0.001                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--      9.1396                 4.9703                39.9227
  Dep-P Fr= 1--      0.4609                 0.7494                 0.3511
  Dep-U Fr= 1--      0.6309                 0.8568                 0.5197
 Alpha2 Fr= 1--      0.0536                 0.0001                 0.3493
 Beta2  Fr= 1--      0.9611                 0.7097                 3.4579
 AlphaG Fr= 1--     -0.1332                -0.0010                -4.4853
 Gamma2 Fr= 1--   -112.0133               -95.8252               -69.7558
 Delta2 Fr= 1--     -4.7980                -2.0852                 9.0700
 Raman1 Fr= 1--      36.558                 19.881                159.691
 ROA1   Fr= 1--  -10906.809              -9265.944              -6406.318
 CID1   Fr= 1--    -298.340               -466.070                -40.117
 Raman2 Fr= 1--      11.533                  8.517                 41.495
 ROA2   Fr= 1--   -2649.934              -2283.123              -1746.700
 CID2   Fr= 1--    -229.767               -268.081                -42.094
 Raman3 Fr= 1--      23.066                 17.033                 82.991
 ROA3   Fr= 1--  -10906.809              -9265.944              -6406.318
 CID3   Fr= 1--    -472.846               -543.997                -77.193
 RC180  Fr= 1--       0.262                  0.714                  0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--     14.0740               680.2840                 0.0755
  Dep-P Fr= 1--      0.4936                 0.3847                 0.7449
  Dep-U Fr= 1--      0.6609                 0.5557                 0.8538
 Alpha2 Fr= 1--      0.0716                 5.3168                 0.0000
 Beta2  Fr= 1--      1.5503                63.0038                 0.0107
 AlphaG Fr= 1--      0.0086                -0.3394                 0.0004
 Gamma2 Fr= 1--    251.5330               339.3225                 0.8860
 Delta2 Fr= 1--     15.7196                27.1121                -0.1634
 Raman1 Fr= 1--      56.296               2721.136                  0.302
 ROA1   Fr= 1--   24650.191              33442.549                 79.827
 CID1   Fr= 1--     437.869                 12.290                264.442
 Raman2 Fr= 1--      18.604                756.045                  0.129
 ROA2   Fr= 1--    5911.034               7926.844                 22.570
 CID2   Fr= 1--     317.726                 10.485                175.146
 Raman3 Fr= 1--      37.208               1512.091                  0.258
 ROA3   Fr= 1--   24650.191              33442.549                 79.827
 CID3   Fr= 1--     662.491                 22.117                309.727
 RC180  Fr= 1--       0.322                  0.111                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--     19.5390                80.9786                 1.1802
  Dep-P Fr= 1--      0.6532                 0.2940                 0.5629
  Dep-U Fr= 1--      0.7902                 0.4543                 0.7203
 Alpha2 Fr= 1--      0.0339                 0.8456                 0.0042
 Beta2  Fr= 1--      2.5734                 6.1321                 0.1417
 AlphaG Fr= 1--      1.4389                11.1462                 0.0556
 Gamma2 Fr= 1--    177.5558               -36.4055                -6.3479
 Delta2 Fr= 1--     -1.8542                -9.1106                -2.7123
 Raman1 Fr= 1--      78.156                323.914                  4.721
 ROA1   Fr= 1--   16986.020              -3786.467               -696.192
 CID1   Fr= 1--     217.334                -11.690               -147.473
 Raman2 Fr= 1--      30.880                 73.585                  1.700
 ROA2   Fr= 1--    4276.172               -800.847               -130.651
 CID2   Fr= 1--     138.476                -10.883                -76.840
 Raman3 Fr= 1--      61.760                147.170                  3.401
 ROA3   Fr= 1--   16986.020              -3786.467               -696.192
 CID3   Fr= 1--     275.030                -25.728               -204.727
 RC180  Fr= 1--       0.580                 -0.091                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--      0.5459               128.0710                 1.9642
  Dep-P Fr= 1--      0.6688                 0.5596                 0.7407
  Dep-U Fr= 1--      0.8015                 0.7177                 0.8510
 Alpha2 Fr= 1--      0.0008                 0.4632                 0.0003
 Beta2  Fr= 1--      0.0729                15.3184                 0.2786
 AlphaG Fr= 1--     -0.0011                -1.3722                 0.0020
 Gamma2 Fr= 1--     -4.7579               102.2956                -2.5875
 Delta2 Fr= 1--      0.6878                21.8956                 2.8396
 Raman1 Fr= 1--       2.184                512.284                  7.857
 ROA1   Fr= 1--    -434.751              10521.036               -157.528
 CID1   Fr= 1--    -199.095                 20.538                -20.050
 Raman2 Fr= 1--       0.875                183.821                  3.343
 ROA2   Fr= 1--    -119.692               2279.930                -84.816
 CID2   Fr= 1--    -136.775                 12.403                -25.370
 Raman3 Fr= 1--       1.750                367.642                  6.686
 ROA3   Fr= 1--    -434.751              10521.036               -157.528
 CID3   Fr= 1--    -248.399                 28.618                -23.560
 RC180  Fr= 1--       0.603                  0.435                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--    433.0351                 7.4832                 1.6324
  Dep-P Fr= 1--      0.3637                 0.5536                 0.7392
  Dep-U Fr= 1--      0.5334                 0.7126                 0.8500
 Alpha2 Fr= 1--      3.6343                 0.0280                 0.0003
 Beta2  Fr= 1--     38.4988                 0.8888                 0.2313
 AlphaG Fr= 1--     26.4158                -0.3171                -0.0041
 Gamma2 Fr= 1--    174.9665                 0.5192                 0.2804
 Delta2 Fr= 1--     14.9655                 5.5920                -3.5051
 Raman1 Fr= 1--    1732.140                 29.933                  6.530
 ROA1   Fr= 1--   17275.679                228.790                -85.241
 CID1   Fr= 1--       9.974                  7.643                -13.055
 Raman2 Fr= 1--     461.986                 10.665                  2.775
 ROA2   Fr= 1--    4079.471                -32.275                 34.772
 CID2   Fr= 1--       8.830                 -3.026                 12.530
 Raman3 Fr= 1--     923.972                 21.331                  5.550
 ROA3   Fr= 1--   17275.679                228.790                -85.241
 CID3   Fr= 1--      18.697                 10.726                -15.358
 RC180  Fr= 1--       0.067                  0.425                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--      8.2290                 2.0379                 2.2219
  Dep-P Fr= 1--      0.7497                 0.1511                 0.7485
  Dep-U Fr= 1--      0.8569                 0.2625                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0314                 0.0001
 Beta2  Fr= 1--      1.1753                 0.0892                 0.3170
 AlphaG Fr= 1--      0.0014                 1.7646                -0.0000
 Gamma2 Fr= 1--    -22.3230                23.2452               166.6075
 Delta2 Fr= 1--      5.6017                 1.7300                11.8578
 Raman1 Fr= 1--      32.916                  8.152                  8.888
 ROA1   Fr= 1--   -1963.759               2286.900              16373.772
 CID1   Fr= 1--     -59.660                280.539               1842.330
 Raman2 Fr= 1--      14.103                  1.070                  3.804
 ROA2   Fr= 1--    -580.567                544.045               3903.719
 CID2   Fr= 1--     -41.165                508.498               1026.087
 Raman3 Fr= 1--      28.207                  2.140                  7.609
 ROA3   Fr= 1--   -1963.759               2286.900              16373.772
 CID3   Fr= 1--     -69.621               1068.739               2151.911
 RC180  Fr= 1--       0.714                 -0.475                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--    759.5417               107.2064                 4.4267
  Dep-P Fr= 1--      0.3310                 0.4724                 0.7446
  Dep-U Fr= 1--      0.4973                 0.6417                 0.8536
 Alpha2 Fr= 1--      7.0857                 0.5988                 0.0004
 Beta2  Fr= 1--     62.9552                11.4658                 0.6298
 AlphaG Fr= 1--     46.6377                -5.6020                -0.0022
 Gamma2 Fr= 1--   -167.0930               -12.7856                20.6989
 Delta2 Fr= 1--    -20.4183                 6.2340                 4.8946
 Raman1 Fr= 1--    3038.167                428.825                 17.707
 ROA1   Fr= 1--  -16694.313              -1027.928               2143.718
 CID1   Fr= 1--      -5.495                 -2.397                121.069
 Raman2 Fr= 1--     755.463                137.589                  7.557
 ROA2   Fr= 1--   -3846.885               -356.725                457.616
 CID2   Fr= 1--      -5.092                 -2.593                 60.555
 Raman3 Fr= 1--    1510.926                275.179                 15.114
 ROA3   Fr= 1--  -16694.313              -1027.928               2143.718
 CID3   Fr= 1--     -11.049                 -3.735                141.836
 RC180  Fr= 1--      -0.005                  0.283                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      6.5291                69.4529               524.6899
  Dep-P Fr= 1--      0.7261                 0.4230                 0.4002
  Dep-U Fr= 1--      0.8413                 0.5945                 0.5717
 Alpha2 Fr= 1--      0.0027                 0.4729                 3.8832
 Beta2  Fr= 1--      0.9155                 6.8816                49.9925
 AlphaG Fr= 1--      0.0527                 8.5420                -8.8801
 Gamma2 Fr= 1--    -54.3880               263.5020               -92.9824
 Delta2 Fr= 1--     -9.0559                20.1686                34.7974
 Raman1 Fr= 1--      26.116                277.812               2098.760
 ROA1   Fr= 1--   -5511.033              25941.592              -7812.792
 CID1   Fr= 1--    -211.020                 93.378                 -3.723
 Raman2 Fr= 1--      10.986                 82.579                599.910
 ROA2   Fr= 1--   -1232.863               6162.700              -2509.956
 CID2   Fr= 1--    -112.218                 74.627                 -4.184
 Raman3 Fr= 1--      21.973                165.159               1199.820
 ROA3   Fr= 1--   -5511.033              25941.592              -7812.792
 CID3   Fr= 1--    -250.812                157.070                 -6.512
 RC180  Fr= 1--       0.683                  0.189                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--      4.6613                65.0147                 1.9785
  Dep-P Fr= 1--      0.7492                 0.6318                 0.7477
  Dep-U Fr= 1--      0.8566                 0.7744                 0.8556
 Alpha2 Fr= 1--      0.0001                 0.1395                 0.0001
 Beta2  Fr= 1--      0.6655                 8.3911                 0.2821
 AlphaG Fr= 1--      0.0003                -2.9092                -0.0011
 Gamma2 Fr= 1--   -171.6642               144.1246               -65.7874
 Delta2 Fr= 1--     -0.8811                -8.6086                -3.4411
 Raman1 Fr= 1--      18.645                260.059                  7.914
 ROA1   Fr= 1--  -16507.955              13560.484              -6425.701
 CID1   Fr= 1--    -885.367                 52.144               -811.948
 Raman2 Fr= 1--       7.986                100.693                  3.386
 ROA2   Fr= 1--   -4112.891               3527.858              -1551.368
 CID2   Fr= 1--    -515.029                 35.036               -458.202
 Raman3 Fr= 1--      15.972                201.386                  6.772
 ROA3   Fr= 1--  -16507.955              13560.484              -6425.701
 CID3   Fr= 1--   -1033.588                 67.336               -948.927
 RC180  Fr= 1--       0.713                  0.549                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--     33.8646                11.6310              2415.7467
  Dep-P Fr= 1--      0.5197                 0.6245                 0.3714
  Dep-U Fr= 1--      0.6840                 0.7688                 0.5416
 Alpha2 Fr= 1--      0.1520                 0.0266                19.7634
 Beta2  Fr= 1--      3.8604                 1.4904               218.0563
 AlphaG Fr= 1--     -2.2384                -0.3830               -20.0940
 Gamma2 Fr= 1--    -45.9090                -0.6684              -127.8548
 Delta2 Fr= 1--      7.3754                -6.3314                58.5119
 Raman1 Fr= 1--     135.458                 46.524               9662.987
 ROA1   Fr= 1--   -4171.253               -266.768             -10401.682
 CID1   Fr= 1--     -30.794                 -5.734                 -1.076
 Raman2 Fr= 1--      46.325                 17.884               2616.675
 ROA2   Fr= 1--   -1160.820                 34.610              -3536.611
 CID2   Fr= 1--     -25.058                  1.935                 -1.352
 Raman3 Fr= 1--      92.649                 35.769               5233.350
 ROA3   Fr= 1--   -4171.253               -266.768             -10401.682
 CID3   Fr= 1--     -45.022                 -7.458                 -1.988
 RC180  Fr= 1--       0.368                  0.538                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--      7.6802                 0.1136                 9.8588
  Dep-P Fr= 1--      0.7224                 0.6200                 0.3761
  Dep-U Fr= 1--      0.8388                 0.7654                 0.5466
 Alpha2 Fr= 1--      0.0037                 0.0003                 0.0794
 Beta2  Fr= 1--      1.0737                 0.0145                 0.8982
 AlphaG Fr= 1--      0.0014                 0.0017                 0.4291
 Gamma2 Fr= 1--    309.7790                 2.0363                 1.8253
 Delta2 Fr= 1--    -12.2051                 0.0449                -0.0801
 Raman1 Fr= 1--      30.721                  0.454                 39.435
 ROA1   Fr= 1--   29348.221                196.919                172.663
 CID1   Fr= 1--     955.316                433.352                  4.378
 Raman2 Fr= 1--      12.884                  0.174                 10.779
 ROA2   Fr= 1--    7532.336                 48.511                 44.447
 CID2   Fr= 1--     584.607                278.955                  4.124
 Raman3 Fr= 1--      25.769                  0.348                 21.557
 ROA3   Fr= 1--   29348.221                196.919                172.663
 CID3   Fr= 1--    1138.902                566.178                  8.010
 RC180  Fr= 1--       0.678                  0.531                  0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--     49.5266                68.7156                36.5401
  Dep-P Fr= 1--      0.3135                 0.3135                 0.4745
  Dep-U Fr= 1--      0.4773                 0.4774                 0.6436
 Alpha2 Fr= 1--      0.4877                 0.6766                 0.2023
 Beta2  Fr= 1--      3.9400                 5.4672                 3.9197
 AlphaG Fr= 1--      1.6507                 2.2745                 0.3746
 Gamma2 Fr= 1--      5.9025                 9.3819                40.7103
 Delta2 Fr= 1--      0.7738                 1.2288                 3.1411
 Raman1 Fr= 1--     198.106                274.862                146.161
 ROA1   Fr= 1--     591.399                939.984               4008.707
 CID1   Fr= 1--       2.985                  3.420                 27.427
 Raman2 Fr= 1--      47.280                 65.607                 47.036
 ROA2   Fr= 1--     135.469                215.335                951.919
 CID2   Fr= 1--       2.865                  3.282                 20.238
 Raman3 Fr= 1--      94.561                131.214                 94.073
 ROA3   Fr= 1--     591.399                939.984               4008.707
 CID3   Fr= 1--       6.254                  7.164                 42.613
 RC180  Fr= 1--      -0.045                 -0.045                  0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      0.2302               273.4091                 9.7658
  Dep-P Fr= 1--      0.6300                 0.3962                 0.7500
  Dep-U Fr= 1--      0.7730                 0.5675                 0.8571
 Alpha2 Fr= 1--      0.0005                 2.0530                 0.0000
 Beta2  Fr= 1--      0.0297                25.8603                 1.3951
 AlphaG Fr= 1--      0.0013                20.1477                 0.0001
 Gamma2 Fr= 1--     -4.7973              1088.3534              -219.7527
 Delta2 Fr= 1--      0.3286                22.5602                38.0112
 Raman1 Fr= 1--       0.921               1093.637                 39.063
 ROA1   Fr= 1--    -450.024             105203.856             -19879.898
 CID1   Fr= 1--    -488.753                 96.196               -508.919
 Raman2 Fr= 1--       0.356                310.324                 16.741
 ROA2   Fr= 1--    -117.763              25940.001              -5578.154
 CID2   Fr= 1--    -330.912                 83.590               -333.198
 Raman3 Fr= 1--       0.712                620.648                 33.483
 ROA3   Fr= 1--    -450.024             105203.856             -19879.898
 CID3   Fr= 1--    -632.280                169.506               -593.740
 RC180  Fr= 1--       0.546                  0.135                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--     24.6100                10.3144                 0.5096
  Dep-P Fr= 1--      0.2617                 0.6606                 0.6033
  Dep-U Fr= 1--      0.4148                 0.7956                 0.7525
 Alpha2 Fr= 1--      0.2822                 0.0165                 0.0014
 Beta2  Fr= 1--      1.7015                 1.3677                 0.0639
 AlphaG Fr= 1--      2.0111                 0.1184                 0.0148
 Gamma2 Fr= 1--    -23.3374               -10.7801                 2.3866
 Delta2 Fr= 1--     -4.0037                -4.0576                 1.4706
 Raman1 Fr= 1--      98.440                 41.258                  2.039
 ROA1   Fr= 1--   -2368.514              -1164.733                276.177
 CID1   Fr= 1--     -24.060                -28.231                135.475
 Raman2 Fr= 1--      20.418                 16.412                  0.767
 ROA2   Fr= 1--    -528.069               -226.262                 45.514
 CID2   Fr= 1--     -25.863                -13.786                 59.336
 Raman3 Fr= 1--      40.836                 32.824                  1.534
 ROA3   Fr= 1--   -2368.514              -1164.733                276.177
 CID3   Fr= 1--     -58.001                -35.484                180.024
 RC180  Fr= 1--      -0.170                  0.591                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--      7.9528                11.4332                53.1636
  Dep-P Fr= 1--      0.3270                 0.7498                 0.3543
  Dep-U Fr= 1--      0.4928                 0.8570                 0.5233
 Alpha2 Fr= 1--      0.0751                 0.0000                 0.4602
 Beta2  Fr= 1--      0.6532                 1.6330                 4.6364
 AlphaG Fr= 1--      0.7728                 0.0002                 2.4213
 Gamma2 Fr= 1--      8.2016                34.0553                 0.2607
 Delta2 Fr= 1--      0.0843                 8.7881                -8.4191
 Raman1 Fr= 1--      31.811                 45.733                212.654
 ROA1   Fr= 1--     790.048               3550.532               -244.382
 CID1   Fr= 1--      24.836                 77.636                 -1.149
 Raman2 Fr= 1--       7.839                 19.596                 55.637
 ROA2   Fr= 1--     196.164                747.024                 73.610
 CID2   Fr= 1--      25.026                 38.121                  1.323
 Raman3 Fr= 1--      15.677                 39.193                111.274
 ROA3   Fr= 1--     790.048               3550.532               -244.382
 CID3   Fr= 1--      50.395                 90.592                 -2.196
 RC180  Fr= 1--      -0.014                  0.714                  0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--      1.3039                 0.9634                 3.9336
  Dep-P Fr= 1--      0.6410                 0.7499                 0.2090
  Dep-U Fr= 1--      0.7812                 0.8571                 0.3457
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0522
 Beta2  Fr= 1--      0.1698                 0.1376                 0.2267
 AlphaG Fr= 1--      0.1180                -0.0000                 0.9682
 Gamma2 Fr= 1--      3.2453                -5.8136               -18.5737
 Delta2 Fr= 1--     -2.1387                -0.7517                -3.7598
 Raman1 Fr= 1--       5.215                  3.854                 15.734
 ROA1   Fr= 1--     243.109               -582.160              -1903.391
 CID1   Fr= 1--      46.613               -151.070               -120.970
 Raman2 Fr= 1--       2.037                  1.651                  2.720
 ROA2   Fr= 1--      94.996               -133.513               -415.691
 CID2   Fr= 1--      46.630                -80.848               -152.826
 Raman3 Fr= 1--       4.074                  3.303                  5.440
 ROA3   Fr= 1--     243.109               -582.160              -1903.391
 CID3   Fr= 1--      59.666               -176.261               -349.885
 RC180  Fr= 1--       0.562                  0.714                 -0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      2.1889                 5.2603                23.5182
  Dep-P Fr= 1--      0.7485                 0.6436                 0.2342
  Dep-U Fr= 1--      0.8561                 0.7831                 0.3795
 Alpha2 Fr= 1--      0.0001                 0.0101                 0.2912
 Beta2  Fr= 1--      0.3123                 0.6866                 1.4877
 AlphaG Fr= 1--      0.0009                 0.0551                 1.5917
 Gamma2 Fr= 1--     -3.3693               -27.0686                 3.2433
 Delta2 Fr= 1--     -2.5711                 1.4842                -3.9035
 Raman1 Fr= 1--       8.755                 21.041                 94.073
 ROA1   Fr= 1--    -405.730              -2551.087                186.446
 CID1   Fr= 1--     -46.340               -121.243                  1.982
 Raman2 Fr= 1--       3.748                  8.239                 17.853
 ROA2   Fr= 1--     -60.294               -661.520                109.067
 CID2   Fr= 1--     -16.087                -80.290                  6.109
 Raman3 Fr= 1--       7.496                 16.478                 35.705
 ROA3   Fr= 1--    -405.730              -2551.087                186.446
 CID3   Fr= 1--     -54.126               -154.815                  5.222
 RC180  Fr= 1--       0.712                  0.566                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--     10.8535                11.5147                14.6895
  Dep-P Fr= 1--      0.7471                 0.6644                 0.7499
  Dep-U Fr= 1--      0.8552                 0.7983                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0176                 0.0000
 Beta2  Fr= 1--      1.5470                 1.5321                 2.0983
 AlphaG Fr= 1--      0.0329                 1.0081                 0.0005
 Gamma2 Fr= 1--     52.5830                47.6486                37.8653
 Delta2 Fr= 1--     -0.7055                -2.4558                 4.7264
 Raman1 Fr= 1--      43.414                 46.059                 58.758
 ROA1   Fr= 1--    5025.397               4495.681               3786.314
 CID1   Fr= 1--     115.755                 97.607                 64.439
 Raman2 Fr= 1--      18.565                 18.385                 25.180
 ROA2   Fr= 1--    1267.637               1163.212                870.956
 CID2   Fr= 1--      68.283                 63.269                 34.589
 Raman3 Fr= 1--      37.129                 36.770                 50.360
 ROA3   Fr= 1--    5025.397               4495.681               3786.314
 CID3   Fr= 1--     135.350                122.264                 75.185
 RC180  Fr= 1--       0.710                  0.597                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--      3.0015               722.2001                 2.2639
  Dep-P Fr= 1--      0.3722                 0.6584                 0.7400
  Dep-U Fr= 1--      0.5425                 0.7940                 0.8506
 Alpha2 Fr= 1--      0.0245                 1.1824                 0.0004
 Beta2  Fr= 1--      0.2714                95.5702                 0.3209
 AlphaG Fr= 1--      0.5170                43.8048                 0.0076
 Gamma2 Fr= 1--     25.6934               571.9948                21.6639
 Delta2 Fr= 1--      2.2922               115.8404               -35.8312
 Raman1 Fr= 1--      12.006               2888.800                  9.056
 ROA1   Fr= 1--    2539.916              58618.398                933.130
 CID1   Fr= 1--     211.552                 20.292                103.044
 Raman2 Fr= 1--       3.257               1146.842                  3.851
 ROA2   Fr= 1--     598.304              12801.153                806.583
 CID2   Fr= 1--     183.722                 11.162                209.428
 Raman3 Fr= 1--       6.513               2293.684                  7.703
 ROA3   Fr= 1--    2539.916              58618.398                933.130
 CID3   Fr= 1--     389.967                 25.556                121.143
 RC180  Fr= 1--       0.085                  0.588                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--      2.9670             30996.4569                 5.8885
  Dep-P Fr= 1--      0.7436                 0.3216                 0.6286
  Dep-U Fr= 1--      0.8529                 0.4867                 0.7719
 Alpha2 Fr= 1--      0.0003               297.6650                 0.0130
 Beta2  Fr= 1--      0.4218              2514.5048                 0.7576
 AlphaG Fr= 1--      0.0019              2118.8715                -0.0111
 Gamma2 Fr= 1--    494.4358             12120.9507                -9.0798
 Delta2 Fr= 1--     14.3498              -150.8372                -2.5319
 Raman1 Fr= 1--      11.868             123985.828                 23.554
 ROA1   Fr= 1--   47925.032            1158784.481               -952.683
 CID1   Fr= 1--    4038.146                  9.346                -40.447
 Raman2 Fr= 1--       5.061              30174.057                  9.091
 ROA2   Fr= 1--   11751.661             292109.515               -197.661
 CID2   Fr= 1--    2321.884                  9.681                -21.742
 Raman3 Fr= 1--      10.123              60348.114                 18.182
 ROA3   Fr= 1--   47925.032            1158784.481               -952.683
 CID3   Fr= 1--    4734.495                 19.202                -52.396
 RC180  Fr= 1--       0.706                 -0.027                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     23.9029                55.9421                60.8584
  Dep-P Fr= 1--      0.5195                 0.4020                 0.3684
  Dep-U Fr= 1--      0.6838                 0.5734                 0.5384
 Alpha2 Fr= 1--      0.1075                 0.4115                 0.5029
 Beta2  Fr= 1--      2.7239                 5.3467                 5.4614
 AlphaG Fr= 1--     -0.0946                 0.6436                 0.7209
 Gamma2 Fr= 1--     -9.3535               -22.3346               -25.8892
 Delta2 Fr= 1--     -1.2125               -18.8960               -18.7726
 Raman1 Fr= 1--      95.611                223.768                243.434
 ROA1   Fr= 1--    -936.738              -2748.798              -3086.092
 CID1   Fr= 1--      -9.797                -12.284                -12.677
 Raman2 Fr= 1--      32.687                 64.160                 65.536
 ROA2   Fr= 1--    -214.784               -384.863               -471.161
 CID2   Fr= 1--      -6.571                 -5.998                 -7.189
 Raman3 Fr= 1--      65.375                128.320                131.073
 ROA3   Fr= 1--    -936.738              -2748.798              -3086.092
 CID3   Fr= 1--     -14.329                -21.421                -23.545
 RC180  Fr= 1--       0.368                  0.147                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--     85.2664               815.0945               132.0745
  Dep-P Fr= 1--      0.4855                 0.0040                 0.2560
  Dep-U Fr= 1--      0.6537                 0.0079                 0.4076
 Alpha2 Fr= 1--      0.4498                17.9465                 1.5393
 Beta2  Fr= 1--      9.2893                 1.0716                 8.9720
 AlphaG Fr= 1--     -0.2980               -12.0259                 1.0561
 Gamma2 Fr= 1--   -149.2971                 9.3857                34.7151
 Delta2 Fr= 1--     46.5676                 1.2453                24.0541
 Raman1 Fr= 1--     341.065               3260.378                528.298
 ROA1   Fr= 1--  -12842.354                940.873               4102.384
 CID1   Fr= 1--     -37.654                  0.289                  7.765
 Raman2 Fr= 1--     111.472                 12.859                107.664
 ROA2   Fr= 1--   -3955.670                215.293                640.731
 CID2   Fr= 1--     -35.486                 16.743                  5.951
 Raman3 Fr= 1--     222.944                 25.718                215.327
 ROA3   Fr= 1--  -12842.354                940.873               4102.384
 CID3   Fr= 1--     -57.604                 36.585                 19.052
 RC180  Fr= 1--       0.307                 -0.984                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--     90.4442                32.8325               736.2097
  Dep-P Fr= 1--      0.3540                 0.6456                 0.0870
  Dep-U Fr= 1--      0.5229                 0.7846                 0.1600
 Alpha2 Fr= 1--      0.7838                 0.0617                13.3055
 Beta2  Fr= 1--      7.8819                 4.2935                19.6372
 AlphaG Fr= 1--      0.5310                 0.0062                 0.8905
 Gamma2 Fr= 1--     21.8116               100.6970               -29.0580
 Delta2 Fr= 1--     28.5550                 3.3471               -28.7575
 Raman1 Fr= 1--     361.777                131.330               2944.839
 ROA1   Fr= 1--    3007.679               9774.017              -3709.805
 CID1   Fr= 1--       8.314                 74.423                 -1.260
 Raman2 Fr= 1--      94.582                 51.522                235.646
 ROA2   Fr= 1--     295.040               2389.950               -467.332
 CID2   Fr= 1--       3.119                 46.387                 -1.983
 Raman3 Fr= 1--     189.165                103.044                471.292
 ROA3   Fr= 1--    3007.679               9774.017              -3709.805
 CID3   Fr= 1--      15.900                 94.853                 -7.872
 RC180  Fr= 1--       0.046                  0.569                 -0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--     19.6271                19.7676               167.4595
  Dep-P Fr= 1--      0.6582                 0.6587                 0.7409
  Dep-U Fr= 1--      0.7939                 0.7942                 0.8512
 Alpha2 Fr= 1--      0.0322                 0.0322                 0.0258
 Beta2  Fr= 1--      2.5969                 2.6167                23.7568
 AlphaG Fr= 1--      0.3172                 0.3174                 0.2066
 Gamma2 Fr= 1--      7.2300                 7.0574               -20.6077
 Delta2 Fr= 1--     -2.4200                -2.5243               -58.7457
 Raman1 Fr= 1--      78.508                 79.070                669.838
 ROA1   Fr= 1--     616.637                596.736              -3858.204
 CID1   Fr= 1--       7.854                  7.547                 -5.760
 Raman2 Fr= 1--      31.163                 31.400                285.082
 ROA2   Fr= 1--     192.880                189.573                -24.621
 CID2   Fr= 1--       6.189                  6.037                 -0.086
 Raman3 Fr= 1--      62.326                 62.800                570.164
 ROA3   Fr= 1--     616.637                596.736              -3858.204
 CID3   Fr= 1--       9.894                  9.502                 -6.767
 RC180  Fr= 1--       0.588                  0.588                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    134.9581                38.7125                80.6190
  Dep-P Fr= 1--      0.7494                 0.4627                 0.3810
  Dep-U Fr= 1--      0.8567                 0.6326                 0.5517
 Alpha2 Fr= 1--      0.0014                 0.2253                 0.6384
 Beta2  Fr= 1--     19.2708                 4.0818                 7.4133
 AlphaG Fr= 1--      0.0116                -0.0231                -0.0522
 Gamma2 Fr= 1--    107.1278                30.4471                59.4775
 Delta2 Fr= 1--     46.4876                 4.1990                -1.2613
 Raman1 Fr= 1--     539.832                154.850                322.476
 ROA1   Fr= 1--   11771.871               3057.286               5669.478
 CID1   Fr= 1--      21.807                 19.744                 17.581
 Raman2 Fr= 1--     231.250                 48.982                 88.959
 ROA2   Fr= 1--    2199.166                697.137               1437.550
 CID2   Fr= 1--       9.510                 14.232                 16.160
 Raman3 Fr= 1--     462.500                 97.964                177.919
 ROA3   Fr= 1--   11771.871               3057.286               5669.478
 CID3   Fr= 1--      25.453                 31.208                 31.866
 RC180  Fr= 1--       0.713                  0.265                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     43.6075               144.8959                73.9424
  Dep-P Fr= 1--      0.6321                 0.6067                 0.6901
  Dep-U Fr= 1--      0.7746                 0.7552                 0.8166
 Alpha2 Fr= 1--      0.0933                 0.3829                 0.0776
 Beta2  Fr= 1--      5.6296                18.2379                10.0641
 AlphaG Fr= 1--      0.4016                 1.7221                -0.3149
 Gamma2 Fr= 1--     22.7676               -50.2447               -30.0063
 Delta2 Fr= 1--     31.9938                -7.5375                 2.4339
 Raman1 Fr= 1--     174.430                579.584                295.770
 ROA1   Fr= 1--    3209.488              -5064.694              -2802.717
 CID1   Fr= 1--      18.400                 -8.739                 -9.476
 Raman2 Fr= 1--      67.555                218.854                120.769
 ROA2   Fr= 1--     290.471              -1145.574               -739.622
 CID2   Fr= 1--       4.300                 -5.234                 -6.124
 Raman3 Fr= 1--     135.110                437.709                241.539
 ROA3   Fr= 1--    3209.488              -5064.694              -2802.717
 CID3   Fr= 1--      23.755                -11.571                -11.604
 RC180  Fr= 1--       0.549                  0.510                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--     82.7932                26.2413                70.0154
  Dep-P Fr= 1--      0.6764                 0.7459                 0.7421
  Dep-U Fr= 1--      0.8070                 0.8545                 0.8520
 Alpha2 Fr= 1--      0.1077                 0.0018                 0.0094
 Beta2  Fr= 1--     11.1355                 3.7371                 9.9419
 AlphaG Fr= 1--     -0.3707                 0.0193                 0.0973
 Gamma2 Fr= 1--    -73.4254                17.4977               -13.1260
 Delta2 Fr= 1--    -20.9408                12.1380               -15.1774
 Raman1 Fr= 1--     331.173                104.965                280.062
 ROA1   Fr= 1--   -7718.943               2068.196              -1745.770
 CID1   Fr= 1--     -23.308                 19.704                 -6.234
 Raman2 Fr= 1--     133.626                 44.846                119.303
 ROA2   Fr= 1--   -1594.682                322.841               -193.605
 CID2   Fr= 1--     -11.934                  7.199                 -1.623
 Raman3 Fr= 1--     267.252                 89.692                238.607
 ROA3   Fr= 1--   -7718.943               2068.196              -1745.770
 CID3   Fr= 1--     -28.883                 23.059                 -7.317
 RC180  Fr= 1--       0.614                  0.709                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     18.2945               229.8778                97.1724
  Dep-P Fr= 1--      0.7482                 0.6873                 0.2148
  Dep-U Fr= 1--      0.8559                 0.8147                 0.3536
 Alpha2 Fr= 1--      0.0006                 0.2529                 1.2684
 Beta2  Fr= 1--      2.6098                31.2136                 5.7275
 AlphaG Fr= 1--      0.0003                 0.2722                 2.8927
 Gamma2 Fr= 1--     47.6901               -53.4509                44.2830
 Delta2 Fr= 1--     32.4008               -58.7093                13.6804
 Raman1 Fr= 1--      73.178                919.511                388.690
 ROA1   Fr= 1--    5615.077              -7009.981               4688.944
 CID1   Fr= 1--      76.732                 -7.624                 12.063
 Raman2 Fr= 1--      31.318                374.563                 68.730
 ROA2   Fr= 1--     885.357               -813.147                953.349
 CID2   Fr= 1--      28.270                 -2.171                 13.871
 Raman3 Fr= 1--      62.636                749.127                137.460
 ROA3   Fr= 1--    5615.077              -7009.981               4688.944
 CID3   Fr= 1--      89.646                 -9.358                 34.111
 RC180  Fr= 1--       0.712                  0.629                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    300.3587                86.1181                76.9226
  Dep-P Fr= 1--      0.1995                 0.5793                 0.4649
  Dep-U Fr= 1--      0.3327                 0.7337                 0.6347
 Alpha2 Fr= 1--      4.0838                 0.2757                 0.4436
 Beta2  Fr= 1--     16.6551                10.5301                 8.1375
 AlphaG Fr= 1--      9.3088                 0.3686                 0.5863
 Gamma2 Fr= 1--     30.3155                32.0257                23.2617
 Delta2 Fr= 1--    -16.9968                -0.5000                 1.8861
 Raman1 Fr= 1--    1201.435                344.473                307.690
 ROA1   Fr= 1--    2366.387               3058.465               2293.476
 CID1   Fr= 1--       1.970                  8.879                  7.454
 Raman2 Fr= 1--     199.862                126.361                 97.650
 ROA2   Fr= 1--     863.546                772.616                543.191
 CID2   Fr= 1--       4.321                  6.114                  5.563
 Raman3 Fr= 1--     399.723                252.722                195.300
 ROA3   Fr= 1--    2366.387               3058.465               2293.476
 CID3   Fr= 1--       5.920                 12.102                 11.743
 RC180  Fr= 1--      -0.335                  0.467                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.543181D+03  0.380827D+02 -0.137341D-01
      2   0.380827D+02  0.342251D+03 -0.183699D-02
      3  -0.137341D-01 -0.183699D-02  0.252650D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867779D+02  0.226410D+02  0.398276D-01
      2  -0.206099D+03  0.215103D+02  0.533712D-01
      3  -0.256513D+01  0.192479D+00 -0.167462D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242245D+00  0.179507D-01 -0.636467D+00
      2  -0.186591D+00  0.222846D-01 -0.109753D+03
      3  -0.556539D-01 -0.402352D-01  0.110390D+03
      4  -0.756973D-01 -0.588778D-01  0.877023D+02
      5   0.158233D+03  0.918448D+02  0.384817D-01
      6   0.682570D+02  0.468467D+02 -0.121585D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.969712D+01 -0.656877D+00  0.204502D+01  0.206413D+01  0.222205D+01
      2  -0.656877D+00  0.824724D+00  0.651111D+00  0.222205D+01 -0.852956D+00
      3   0.204502D+01  0.651111D+00  0.178000D+01 -0.367118D+00  0.455869D+00
                 6             7             8             9            10 
      1  -0.367118D+00 -0.587717D+01 -0.104805D+01  0.232242D+01 -0.195737D+02
      2   0.455869D+00 -0.104805D+01 -0.905881D+00  0.340681D+01 -0.873362D+00
      3   0.348703D+01  0.232242D+01  0.340681D+01  0.569462D+00 -0.570525D+00
                11            12            13            14            15 
      1  -0.873362D+00 -0.570525D+00  0.103696D+02 -0.383399D+01  0.983032D+00
      2  -0.377983D+01  0.867338D+00 -0.383399D+01 -0.575119D+00 -0.211667D+01
      3   0.867338D+00 -0.198397D+01  0.983032D+00 -0.211667D+01 -0.447459D+01
                16            17            18            19            20 
      1   0.166882D+01  0.923925D+00 -0.472862D+01  0.864148D+02  0.907967D+01
      2   0.923925D+00 -0.279857D+00 -0.295106D+01  0.907967D+01  0.110370D+02
      3  -0.472862D+01 -0.295106D+01  0.230733D+00  0.675801D+00  0.116027D+01
                21            22            23            24            25 
      1   0.675801D+00  0.258684D+02  0.152212D+02 -0.638314D+00  0.364277D+02
      2   0.116027D+01  0.152212D+02  0.113331D+02  0.172197D+01  0.385920D+01
      3   0.149574D+01 -0.638314D+00  0.172197D+01  0.137161D+01  0.316425D+01
                26            27            28            29            30 
      1   0.385920D+01  0.316425D+01 -0.195861D+03 -0.932247D+01 -0.519319D+01
      2   0.164652D+01  0.179629D+01 -0.932247D+01  0.468178D+01 -0.121618D-01
      3   0.179629D+01  0.902973D+00 -0.519319D+01 -0.121618D-01 -0.156328D+00
                31            32            33            34            35 
      1   0.168534D+02 -0.102370D+02 -0.258186D+01  0.271034D+02 -0.163214D+01
      2  -0.102370D+02  0.480561D+01 -0.145706D+00 -0.163214D+01  0.817030D+00
      3  -0.258186D+01 -0.145706D+00  0.469862D+00  0.347818D+01  0.283235D+01
                36            37            38            39            40 
      1   0.347818D+01  0.733940D+02  0.109906D+02 -0.217203D+00  0.763035D+02
      2   0.283235D+01  0.109906D+02  0.113468D+01  0.206608D+01  0.150473D+02
      3   0.104557D+01 -0.217203D+00  0.206608D+01 -0.335218D+01  0.462456D+01
                41            42            43            44            45 
      1   0.150473D+02  0.462456D+01 -0.546096D+02  0.257163D+01 -0.570875D+01
      2   0.915876D+00 -0.154147D+01  0.257163D+01 -0.341082D-01 -0.146152D+01
      3  -0.154147D+01  0.201996D+01 -0.570875D+01 -0.146152D+01  0.247505D+01
                46            47            48            49            50 
      1   0.248087D+01 -0.486942D+01  0.182809D+01 -0.669593D+01 -0.734753D+01
      2  -0.486942D+01 -0.414149D+01 -0.244234D+00 -0.734753D+01 -0.510982D+00
      3   0.182809D+01 -0.244234D+00  0.321533D+01  0.127841D+01  0.251272D+01
                51            52            53            54            55 
      1   0.127841D+01 -0.212809D+01 -0.375537D+01  0.461373D+01 -0.647518D+01
      2   0.251272D+01 -0.375537D+01 -0.594033D+00 -0.292167D+00 -0.666948D+01
      3  -0.106180D+01  0.461373D+01 -0.292167D+00 -0.167208D+01  0.165832D+01
                56            57            58            59            60 
      1  -0.666948D+01  0.165832D+01 -0.471460D+02 -0.465823D+01 -0.320138D+01
      2  -0.286718D+00 -0.172905D+01 -0.465823D+01  0.859605D+00  0.294558D+01
      3  -0.172905D+01  0.420037D+01 -0.320138D+01  0.294558D+01  0.286962D+01
                61            62            63            64            65 
      1   0.193085D+02  0.654657D+00  0.601318D+01  0.380357D+03  0.237390D+02
      2   0.654657D+00  0.372910D+01  0.266802D+01  0.237390D+02 -0.413787D+01
      3   0.601318D+01  0.266802D+01 -0.120326D+01  0.361040D+01 -0.102873D+01
                66            67            68            69            70 
      1   0.361040D+01  0.126732D+03  0.173308D+02  0.784187D+01  0.142432D+03
      2  -0.102873D+01  0.173308D+02  0.720446D+01  0.115939D+01  0.923071D+01
      3   0.923472D-01  0.784187D+01  0.115939D+01  0.965969D+00  0.168430D+01
                71            72            73            74            75 
      1   0.923071D+01  0.168430D+01 -0.198515D+00 -0.354168D-01 -0.249019D+01
      2   0.629244D+00  0.114820D+01 -0.354168D-01  0.126674D-01  0.108614D-01
      3   0.114820D+01  0.389934D+00 -0.249019D+01  0.108614D-01  0.409272D-04
                76            77            78            79            80 
      1   0.121419D+01  0.215176D-01 -0.183120D+02 -0.210141D+03 -0.150462D+02
      2   0.215176D-01  0.114316D-01 -0.215995D+00 -0.150462D+02 -0.467183D+00
      3  -0.183120D+02 -0.215995D+00  0.722674D-02  0.525110D-01  0.488801D-02
                81            82            83            84            85 
      1   0.525110D-01  0.316706D+03  0.546146D+01 -0.412239D+00 -0.146895D+03
      2   0.488801D-02  0.546146D+01 -0.227377D+01 -0.105858D+01  0.148658D+00
      3  -0.469935D+00 -0.412239D+00 -0.105858D+01 -0.560767D-01  0.556224D+01
                86            87            88            89            90 
      1   0.148658D+00  0.556224D+01 -0.276620D+02 -0.640315D+00  0.203464D+00
      2  -0.403883D+01 -0.407128D+00 -0.640315D+00 -0.216705D+00 -0.122028D+01
      3  -0.407128D+00 -0.322201D+00  0.203464D+00 -0.122028D+01 -0.209881D+00
                91            92            93            94            95 
      1  -0.196862D+03 -0.833444D+01  0.245819D+01 -0.773453D+02 -0.266504D+02
      2  -0.833444D+01 -0.374683D+01 -0.194429D+00 -0.266504D+02 -0.230081D+02
      3   0.245819D+01 -0.194429D+00 -0.957736D+00 -0.456750D+01 -0.270985D+01
                96            97            98            99           100 
      1  -0.456750D+01 -0.312764D+02 -0.417123D+01 -0.225247D+01  0.218533D+02
      2  -0.270985D+01 -0.417123D+01 -0.279300D+01 -0.456846D+01 -0.731793D+01
      3  -0.258234D+01 -0.225247D+01 -0.456846D+01 -0.187640D+01 -0.296804D+00
               101           102           103           104           105 
      1  -0.731793D+01 -0.296804D+00 -0.132871D+02  0.161913D+02  0.252611D+01
      2  -0.439564D+01 -0.428016D+00  0.161913D+02  0.431371D+01  0.677423D+00
      3  -0.428016D+00 -0.134439D+01  0.252611D+01  0.677423D+00 -0.361975D+00
               106           107           108           109           110 
      1   0.198592D+01  0.248048D+01 -0.470926D-01  0.719752D+01  0.175237D+01
      2   0.248048D+01 -0.118950D+01  0.117347D+01  0.175237D+01  0.442228D+01
      3  -0.470926D-01  0.117347D+01 -0.354349D+00  0.201522D+01  0.327438D-01
               111           112           113           114           115 
      1   0.201522D+01 -0.714866D+01 -0.121008D+01 -0.113021D+01  0.634844D+01
      2   0.327438D-01 -0.121008D+01 -0.482819D+01  0.106074D+01  0.139108D+01
      3   0.101779D+01 -0.113021D+01  0.106074D+01 -0.625939D+00  0.225268D+01
               116           117           118           119           120 
      1   0.139108D+01  0.225268D+01 -0.148662D+02 -0.625844D+01  0.188405D+00
      2   0.469035D+01 -0.153953D+01 -0.625844D+01 -0.163801D+01 -0.158081D+01
      3  -0.153953D+01  0.373493D+01  0.188405D+00 -0.158081D+01  0.316139D+01
               121           122           123           124           125 
      1  -0.799590D+01 -0.245799D+01 -0.156696D+01  0.104350D+01 -0.168746D+01
      2  -0.245799D+01 -0.310862D+00  0.173309D+01 -0.168746D+01  0.177336D+01
      3  -0.156696D+01  0.173309D+01 -0.463003D+00  0.263852D+01 -0.830976D+00
               126           127           128           129           130 
      1   0.263852D+01  0.230815D+00  0.477969D+01 -0.884285D+00  0.247289D+02
      2  -0.830976D+00  0.477969D+01 -0.162887D+00  0.167007D+01  0.393043D+00
      3  -0.363689D+01 -0.884285D+00  0.167007D+01 -0.242351D+01  0.259540D+01
               131           132           133           134           135 
      1   0.393043D+00  0.259540D+01 -0.611238D+01  0.131635D+00 -0.403343D+01
      2  -0.176866D+01 -0.282922D+01  0.131635D+00 -0.318013D+01 -0.301734D+01
      3  -0.282922D+01 -0.252516D+01 -0.403343D+01 -0.301734D+01  0.140142D+01
               136           137           138           139           140 
      1   0.582782D+00  0.406968D+01 -0.129666D+01  0.401259D+01 -0.188171D+01
      2   0.406968D+01 -0.487499D+00  0.187920D+01 -0.188171D+01 -0.112730D+01
      3  -0.129666D+01  0.187920D+01 -0.234445D+01  0.150008D+01 -0.404804D+01
               141           142           143           144           145 
      1   0.150008D+01  0.908736D-01  0.146883D+01 -0.267913D+01 -0.379917D+03
      2  -0.404804D+01  0.146883D+01 -0.292647D+01 -0.210832D+01 -0.238801D+02
      3  -0.219059D+01 -0.267913D+01 -0.210832D+01  0.108726D+01  0.377608D+01
               146           147           148           149           150 
      1  -0.238801D+02  0.377608D+01 -0.128291D+03 -0.173742D+02  0.793196D+01
      2   0.412585D+01 -0.102725D+01 -0.173742D+02 -0.719494D+01  0.116518D+01
      3  -0.102725D+01 -0.924042D-01  0.793196D+01  0.116518D+01 -0.971149D+00
               151           152           153           154           155 
      1   0.143085D+03  0.927841D+01 -0.175853D+01  0.196779D+03  0.944042D+01
      2   0.927841D+01  0.631141D+00 -0.115039D+01  0.944042D+01 -0.467837D+01
      3  -0.175853D+01 -0.115039D+01  0.395714D+00 -0.523032D+01 -0.134506D-01
               156           157           158           159           160 
      1  -0.523032D+01 -0.159312D+02  0.101908D+02 -0.256937D+01  0.271552D+02
      2  -0.134506D-01  0.101908D+02 -0.482320D+01 -0.151567D+00 -0.159671D+01
      3   0.159052D+00 -0.256937D+01 -0.151567D+00 -0.468662D+00 -0.347881D+01
               161           162           163           164           165 
      1  -0.159671D+01 -0.347881D+01 -0.735063D+02 -0.110146D+02 -0.203835D+00
      2   0.827772D+00 -0.283437D+01 -0.110146D+02 -0.113570D+01  0.206750D+01
      3  -0.283437D+01  0.104990D+01 -0.203835D+00  0.206750D+01  0.334402D+01
               166           167           168           169           170 
      1  -0.766846D+02 -0.150819D+02  0.463167D+01 -0.547701D+02  0.255301D+01
      2  -0.150819D+02 -0.914493D+00 -0.153654D+01  0.255301D+01 -0.221256D-01
      3   0.463167D+01 -0.153654D+01 -0.200956D+01  0.570489D+01  0.147092D+01
               171           172           173           174           175 
      1   0.570489D+01  0.648702D+01  0.668215D+01  0.167264D+01  0.472079D+02
      2   0.147092D+01  0.668215D+01  0.288586D+00 -0.172204D+01  0.467158D+01
      3   0.249388D+01  0.167264D+01 -0.172204D+01 -0.418966D+01 -0.318834D+01
               176           177           178           179           180 
      1   0.467158D+01 -0.318834D+01  0.193290D+02  0.655706D+00 -0.599807D+01
      2  -0.858239D+00  0.294050D+01  0.655706D+00  0.372482D+01 -0.267694D+01
      3   0.294050D+01 -0.288411D+01 -0.599807D+01 -0.267694D+01 -0.121992D+01
               181           182           183           184           185 
      1   0.195684D+02  0.868749D+00 -0.580285D+00 -0.102977D+02  0.383122D+01
      2   0.868749D+00  0.377884D+01  0.864651D+00  0.383122D+01  0.581142D+00
      3  -0.580285D+00  0.864651D+00  0.197810D+01  0.979121D+00 -0.210736D+01
               186           187           188           189           190 
      1   0.979121D+00  0.172569D+01  0.940300D+00  0.472383D+01 -0.865573D+02
      2  -0.210736D+01  0.940300D+00 -0.270891D+00  0.295453D+01 -0.910237D+01
      3   0.447939D+01  0.472383D+01  0.295453D+01  0.239307D+00  0.688021D+00
               191           192           193           194           195 
      1  -0.910237D+01  0.688021D+00 -0.259928D+02 -0.151587D+02 -0.629014D+00
      2  -0.110384D+02  0.116109D+01 -0.151587D+02 -0.113360D+02  0.172812D+01
      3   0.116109D+01 -0.149619D+01 -0.629014D+00  0.172812D+01 -0.137271D+01
               196           197           198           199           200 
      1   0.363726D+02  0.385280D+01 -0.316969D+01  0.974341D+01  0.672026D+00
      2   0.385280D+01  0.162817D+01 -0.179608D+01  0.672026D+00 -0.820821D+00
      3  -0.316969D+01 -0.179608D+01  0.901415D+00  0.206371D+01  0.657717D+00
               201           202           203           204           205 
      1   0.206371D+01 -0.208118D+01 -0.222808D+01 -0.360445D+00 -0.588367D+01
      2   0.657717D+00 -0.222808D+01  0.848615D+00  0.450466D+00 -0.105146D+01
      3  -0.177427D+01 -0.360445D+00  0.450466D+00 -0.348710D+01 -0.231789D+01
               206           207           208           209           210 
      1  -0.105146D+01 -0.231789D+01 -0.244547D+01  0.487553D+01  0.183870D+01
      2  -0.911492D+00 -0.340662D+01  0.487553D+01  0.414927D+01 -0.242193D+00
      3  -0.340662D+01  0.563383D+00  0.183870D+01 -0.242193D+00 -0.320632D+01
               211           212           213           214           215 
      1   0.672731D+01  0.735905D+01  0.128106D+01 -0.213718D+01 -0.375890D+01
      2   0.735905D+01  0.523571D+00  0.251867D+01 -0.375890D+01 -0.591535D+00
      3   0.128106D+01  0.251867D+01  0.105767D+01 -0.460869D+01  0.285623D+00
               216           217           218           219           220 
      1  -0.460869D+01 -0.570281D+00 -0.406903D+01 -0.130708D+01 -0.401187D+01
      2   0.285623D+00 -0.406903D+01  0.499663D+00  0.186661D+01  0.189682D+01
      3  -0.168915D+01 -0.130708D+01  0.186661D+01  0.233696D+01  0.148400D+01
               221           222           223           224           225 
      1   0.189682D+01  0.148400D+01  0.924742D-01  0.145634D+01  0.267113D+01
      2   0.111560D+01 -0.404825D+01  0.145634D+01 -0.292437D+01  0.212196D+01
      3  -0.404825D+01  0.220661D+01  0.267113D+01  0.212196D+01  0.109328D+01
               226           227           228           229           230 
      1  -0.189769D+00 -0.478574D+01 -0.897071D+00 -0.247641D+02 -0.400245D+00
      2  -0.478574D+01  0.161174D+00  0.166254D+01 -0.400245D+00  0.176787D+01
      3  -0.897071D+00  0.166254D+01  0.241549D+01  0.258425D+01 -0.282215D+01
               231           232           233           234           235 
      1   0.258425D+01 -0.612686D+01  0.119432D+00  0.402214D+01  0.148803D+02
      2  -0.282215D+01  0.119432D+00 -0.317666D+01  0.302775D+01  0.626711D+01
      3   0.253695D+01  0.402214D+01  0.302775D+01  0.141118D+01  0.196157D+00
               236           237           238           239           240 
      1   0.626711D+01  0.196157D+00  0.803227D+01  0.246511D+01 -0.156783D+01
      2   0.164293D+01 -0.157834D+01  0.246511D+01  0.315261D+00  0.173143D+01
      3  -0.157834D+01 -0.315418D+01 -0.156783D+01  0.173143D+01  0.451906D+00
               241           242           243           244           245 
      1   0.107515D+01 -0.168462D+01 -0.263089D+01  0.196974D+03  0.835575D+01
      2  -0.168462D+01  0.177107D+01  0.821450D+00  0.835575D+01  0.372492D+01
      3  -0.263089D+01  0.821450D+00 -0.365261D+01  0.239557D+01 -0.206571D+00
               246           247           248           249           250 
      1   0.239557D+01  0.780467D+02  0.265788D+02 -0.459389D+01 -0.315103D+02
      2  -0.206571D+00  0.265788D+02  0.230259D+02 -0.271558D+01 -0.419111D+01
      3   0.956091D+00 -0.459389D+01 -0.271558D+01  0.258422D+01  0.226299D+01
               251           252           253           254           255 
      1  -0.419111D+01  0.226299D+01 -0.219484D+02  0.731483D+01 -0.283317D+00
      2  -0.278946D+01  0.457106D+01  0.731483D+01  0.440028D+01 -0.428529D+00
      3   0.457106D+01 -0.187468D+01 -0.283317D+00 -0.428529D+00  0.134464D+01
               256           257           258           259           260 
      1   0.132853D+02 -0.161384D+02  0.251713D+01  0.205176D+01  0.250453D+01
      2  -0.161384D+02 -0.431985D+01  0.677251D+00  0.250453D+01 -0.118098D+01
      3   0.251713D+01  0.677251D+00  0.362699D+00  0.493427D-01 -0.117399D+01
               261           262           263           264           265 
      1   0.493427D-01 -0.720768D+01 -0.175121D+01  0.201549D+01  0.715488D+01
      2  -0.117399D+01 -0.175121D+01 -0.442859D+01  0.326159D-01  0.120591D+01
      3  -0.350883D+00  0.201549D+01  0.326159D-01 -0.101851D+01 -0.113053D+01
               266           267           268           269           270 
      1   0.120591D+01 -0.113053D+01  0.634371D+01  0.138710D+01 -0.225407D+01
      2   0.483100D+01  0.106084D+01  0.138710D+01  0.469045D+01  0.153939D+01
      3   0.106084D+01  0.626087D+00 -0.225407D+01  0.153939D+01  0.373370D+01
               271           272           273           274           275 
      1  -0.317791D+03 -0.541655D+01 -0.261360D+00  0.145992D+03 -0.783722D-01
      2  -0.541655D+01  0.228473D+01 -0.104917D+01 -0.783722D-01  0.402549D+01
      3  -0.261360D+00 -0.104917D+01  0.551495D-01  0.545567D+01 -0.403897D+00
               276           277           278           279           280 
      1   0.545567D+01 -0.272768D+02 -0.659405D+00 -0.194465D+00 -0.980783D+01
      2  -0.403897D+00 -0.659405D+00 -0.222415D+00  0.121900D+01 -0.247842D+01
      3   0.319178D+00 -0.194465D+00  0.121900D+01 -0.207884D+00 -0.196204D+01
               281           282           283           284           285 
      1  -0.247842D+01 -0.196204D+01  0.369296D+01  0.542197D-01  0.369531D+00
      2  -0.479884D+01  0.114368D+01  0.542197D-01  0.192212D+01 -0.123730D+01
      3   0.114368D+01 -0.154214D+01  0.369531D+00 -0.123730D+01  0.163969D+00
               286           287           288           289           290 
      1  -0.787818D+01 -0.160998D+01 -0.239354D+01 -0.301669D+01  0.154976D+01
      2  -0.160998D+01 -0.282542D+01  0.148015D+01  0.154976D+01  0.187038D+01
      3  -0.239354D+01  0.148015D+01 -0.362911D+01 -0.640417D+00 -0.383416D+00
               291           292           293           294           295 
      1  -0.640417D+00 -0.398245D+01  0.227404D+01 -0.257785D+00  0.112020D+01
      2  -0.383416D+00  0.227404D+01  0.613809D+01 -0.103188D+01 -0.310503D+00
      3   0.716307D+00 -0.257785D+00 -0.103188D+01  0.728653D+00  0.541764D+00
               296           297           298           299           300 
      1  -0.310503D+00  0.541764D+00  0.302872D+01 -0.155679D+01 -0.642061D+00
      2  -0.653862D+00  0.149496D+01 -0.155679D+01 -0.187034D+01 -0.384269D+00
      3   0.149496D+01 -0.914171D+00 -0.642061D+00 -0.384269D+00 -0.716631D+00
               301           302           303           304           305 
      1   0.395644D+01 -0.228741D+01 -0.260267D+00  0.112414D+01 -0.312081D+00
      2  -0.228741D+01 -0.613483D+01 -0.103272D+01 -0.312081D+00 -0.653863D+00
      3  -0.260267D+00 -0.103272D+01 -0.728900D+00 -0.542682D+00 -0.149484D+01
               306           307           308           309           310 
      1  -0.542682D+00  0.981932D+01  0.249110D+01 -0.196406D+01 -0.370836D+01
      2  -0.149484D+01  0.249110D+01  0.480041D+01  0.114436D+01 -0.670568D-01
      3  -0.914925D+00 -0.196406D+01  0.114436D+01  0.154275D+01  0.372557D+00
               311           312           313           314           315 
      1  -0.670568D-01  0.372557D+00 -0.786997D+01 -0.161411D+01  0.239619D+01
      2  -0.192563D+01 -0.123800D+01 -0.161411D+01 -0.282398D+01 -0.148035D+01
      3  -0.123800D+01 -0.165464D+00  0.239619D+01 -0.148035D+01 -0.362748D+01
               316           317           318           319           320 
      1  -0.827359D+01 -0.413375D+01 -0.171510D+01 -0.628635D+01 -0.602153D+01
      2  -0.413375D+01 -0.440433D+01 -0.102832D+01 -0.602153D+01 -0.663310D+01
      3  -0.171510D+01 -0.102832D+01 -0.115226D+01 -0.204670D+01 -0.216416D+01
               321           322           323           324           325 
      1  -0.204670D+01 -0.502984D+00  0.505897D+00 -0.706732D+00  0.160616D+01
      2  -0.216416D+01  0.505897D+00 -0.823508D+00 -0.105678D+01 -0.119126D+01
      3  -0.167412D+01 -0.706732D+00 -0.105678D+01 -0.608064D+00 -0.140488D+01
               326           327           328           329           330 
      1  -0.119126D+01 -0.140488D+01 -0.174998D+01 -0.382024D+00  0.952565D-01
      2   0.953018D+00  0.134309D+01 -0.382024D+00 -0.151126D+01 -0.145839D+01
      3   0.134309D+01  0.353462D+01  0.952565D-01 -0.145839D+01 -0.116756D+01
               331           332           333           334           335 
      1   0.167904D+01  0.483209D+00  0.945059D+00 -0.168297D+02 -0.806410D+00
      2   0.483209D+00 -0.141222D+01 -0.188437D+01 -0.806410D+00 -0.104691D+01
      3   0.945059D+00 -0.188437D+01 -0.481569D+01 -0.408197D+01 -0.983667D-01
               336           337           338           339           340 
      1  -0.408197D+01 -0.128435D+01 -0.162653D+01 -0.670217D-02 -0.262815D+01
      2  -0.983667D-01 -0.162653D+01  0.169866D+00 -0.506307D+00 -0.300910D+00
      3  -0.231460D+01 -0.670217D-02 -0.506307D+00  0.143358D+00 -0.206861D+01
               341           342           343           344           345 
      1  -0.300910D+00 -0.206861D+01 -0.654175D+00  0.367474D+00 -0.912863D+00
      2   0.175276D+00  0.532355D-01  0.367474D+00  0.668675D+00 -0.654374D+00
      3   0.532355D-01 -0.106276D+01 -0.912863D+00 -0.654374D+00  0.189492D+01
               346           347           348           349           350 
      1   0.661895D-01 -0.747289D-01  0.508772D+00 -0.247228D+00  0.668877D+00
      2  -0.747289D-01  0.162122D+01 -0.181885D+01  0.668877D+00 -0.153521D+01
      3   0.508772D+00 -0.181885D+01  0.308279D+01 -0.631666D+00  0.230878D+01
               351           352           353           354           355 
      1  -0.631666D+00 -0.597043D+01  0.331227D+01  0.525367D+00  0.560836D+01
      2   0.230878D+01  0.331227D+01 -0.203461D+01 -0.357123D+00 -0.335004D+01
      3  -0.620945D+01  0.525367D+00 -0.357123D+00 -0.926638D+00 -0.384332D+00
               356           357           358           359           360 
      1  -0.335004D+01 -0.384332D+00  0.145945D+01 -0.843498D+00 -0.167631D+01
      2   0.487562D+01  0.515976D+00 -0.843498D+00  0.602100D+00  0.715107D+00
      3   0.515976D+00  0.469840D+00 -0.167631D+01  0.715107D+00  0.509431D+00
               361           362           363           364           365 
      1   0.443915D+01  0.199373D+01 -0.100143D+00  0.144732D+01  0.903135D+00
      2   0.199373D+01  0.133791D+01 -0.369274D+00  0.903135D+00  0.779934D+00
      3  -0.100143D+00 -0.369274D+00  0.255521D+01 -0.211163D+00  0.680563D+00
               366           367           368           369           370 
      1  -0.211163D+00 -0.149192D+01 -0.608335D+00  0.143216D+01 -0.807214D+00
      2   0.680563D+00 -0.608335D+00  0.260163D+00  0.656651D+00 -0.394884D+00
      3   0.901286D+00  0.143216D+01  0.656651D+00 -0.202983D+00  0.974934D+00
               371           372           373           374           375 
      1  -0.394884D+00  0.974934D+00 -0.116142D+01 -0.112706D+01  0.109927D+01
      2  -0.133166D+00 -0.140670D+00 -0.112706D+01 -0.351546D+01  0.298673D+01
      3  -0.140670D+00 -0.430669D+00  0.109927D+01  0.298673D+01 -0.463448D+01
               376           377           378           379           380 
      1   0.136511D+01  0.694442D+00 -0.148759D+01 -0.459135D+01  0.204277D+01
      2   0.694442D+00  0.209707D+01 -0.264339D+01  0.204277D+01 -0.161487D+01
      3  -0.148759D+01 -0.264339D+01  0.506212D+01  0.274515D+01 -0.135934D+01
               381           382           383           384           385 
      1   0.274515D+01  0.223252D+01 -0.241975D+01 -0.223811D+01  0.119761D+01
      2  -0.135934D+01 -0.241975D+01  0.254607D+01  0.241580D+01 -0.118874D+01
      3  -0.303547D+01 -0.223811D+01  0.241580D+01  0.275632D+01 -0.241796D+01
               386           387           388           389           390 
      1  -0.118874D+01 -0.241796D+01 -0.320247D+01 -0.830985D+00 -0.174067D+01
      2   0.140104D+01  0.122739D+01 -0.830985D+00 -0.858387D+00 -0.764129D+00
      3   0.122739D+01  0.304560D+01 -0.174067D+01 -0.764129D+00 -0.134775D+01
               391           392           393           394           395 
      1  -0.539505D+00 -0.134311D+01 -0.861776D+00 -0.373491D+01 -0.141671D+01
      2  -0.134311D+01 -0.138830D+01 -0.604789D+00 -0.141671D+01 -0.107146D+01
      3  -0.861776D+00 -0.604789D+00 -0.118443D+01 -0.178170D+01 -0.120101D+01
               396           397           398           399           400 
      1  -0.178170D+01 -0.451421D+01  0.290038D+01  0.219076D+01  0.103911D+02
      2  -0.120101D+01  0.290038D+01 -0.116578D+01 -0.651351D+00 -0.191887D+01
      3  -0.391727D+01  0.219076D+01 -0.651351D+00 -0.149651D+01 -0.233278D+01
               401           402           403           404           405 
      1  -0.191887D+01 -0.233278D+01  0.425325D+01 -0.701149D+00 -0.267374D+01
      2   0.182900D+01  0.106117D+01 -0.701149D+00  0.923260D+00  0.309111D+00
      3   0.106117D+01  0.124613D+01 -0.267374D+01  0.309111D+00  0.151062D+01
               406           407           408           409           410 
      1  -0.220487D+01 -0.840683D+00  0.905228D+00 -0.252012D+01 -0.297459D+01
      2  -0.840683D+00 -0.303768D+00  0.148493D+00 -0.297459D+01 -0.483969D+01
      3   0.905228D+00  0.148493D+00 -0.441404D+00  0.158029D+01  0.281826D+01
               411           412           413           414           415 
      1   0.158029D+01  0.321861D+01  0.174809D+01 -0.234569D+01 -0.223993D+00
      2   0.281826D+01  0.174809D+01  0.287889D+01 -0.260067D+01 -0.210547D+01
      3  -0.257543D+01 -0.234569D+01 -0.260067D+01  0.305703D+01 -0.921000D+00
               416           417           418           419           420 
      1  -0.210547D+01 -0.921000D+00 -0.129295D+01  0.110759D+01  0.388889D+00
      2   0.309717D+01  0.803228D+00  0.110759D+01 -0.360361D+01 -0.129286D+01
      3   0.803228D+00  0.147685D+01  0.388889D+00 -0.129286D+01 -0.701855D+00
               421           422           423           424           425 
      1  -0.960666D+00  0.701775D+00  0.111619D+01 -0.875826D+01 -0.487588D+01
      2   0.701775D+00 -0.295032D+01 -0.130260D+01 -0.487588D+01 -0.529706D+01
      3   0.111619D+01 -0.130260D+01 -0.130017D+01  0.668240D+00  0.860062D+00
               426           427           428           429           430 
      1   0.668240D+00 -0.419993D+00 -0.361595D+01  0.540125D+00 -0.132685D+01
      2   0.860062D+00 -0.361595D+01 -0.565440D+01  0.475486D+00  0.114245D+00
      3  -0.711885D+00  0.540125D+00  0.475486D+00 -0.698118D+00 -0.636635D+00
               431           432           433           434           435 
      1   0.114245D+00 -0.636635D+00  0.603837D+00 -0.859066D+00  0.963512D+00
      2  -0.195887D+00 -0.940858D+00 -0.859066D+00  0.895920D+00 -0.541505D+00
      3  -0.940858D+00  0.609932D+00  0.963512D+00 -0.541505D+00  0.214941D+01
               436           437           438           439           440 
      1   0.343554D+00  0.274320D+00  0.781250D-01  0.389278D+00 -0.197812D+00
      2   0.274320D+00  0.289082D-01  0.785771D+00 -0.197812D+00  0.218203D+01
      3   0.781250D-01  0.785771D+00 -0.204550D+00  0.905101D+00 -0.198334D+01
               441           442           443           444           445 
      1   0.905101D+00  0.800424D+00  0.393937D+00  0.969806D+00  0.116045D+01
      2  -0.198334D+01  0.393937D+00  0.125803D+00 -0.147097D+00  0.112081D+01
      3   0.621857D+01  0.969806D+00 -0.147097D+00  0.420407D+00  0.109076D+01
               446           447           448           449           450 
      1   0.112081D+01  0.109076D+01  0.136083D+01  0.687944D+00  0.147760D+01
      2   0.352182D+01  0.298719D+01  0.687944D+00  0.209644D+01  0.264007D+01
      3   0.298719D+01  0.463213D+01  0.147760D+01  0.264007D+01  0.505161D+01
               451           452           453           454           455 
      1  -0.443848D+01 -0.199284D+01 -0.104935D+00 -0.144875D+01 -0.906424D+00
      2  -0.199284D+01 -0.133888D+01 -0.372438D+00 -0.906424D+00 -0.780679D+00
      3  -0.104935D+00 -0.372438D+00 -0.255050D+01 -0.214323D+00  0.678864D+00
               456           457           458           459           460 
      1  -0.214323D+00 -0.150591D+01 -0.613469D+00 -0.143237D+01  0.459304D+01
      2   0.678864D+00 -0.613469D+00  0.259755D+00 -0.658178D+00 -0.203683D+01
      3  -0.904487D+00 -0.143237D+01 -0.658178D+00 -0.211374D+00  0.274705D+01
               461           462           463           464           465 
      1  -0.203683D+01  0.274705D+01 -0.222693D+01  0.241222D+01 -0.223879D+01
      2   0.161001D+01 -0.136061D+01  0.241222D+01 -0.253805D+01  0.241602D+01
      3  -0.136061D+01  0.304254D+01 -0.223879D+01  0.241602D+01 -0.276138D+01
               466           467           468           469           470 
      1   0.120900D+01 -0.118974D+01  0.242590D+01  0.220251D+01  0.841441D+00
      2  -0.118974D+01  0.140346D+01 -0.123203D+01  0.841441D+00  0.302619D+00
      3   0.242590D+01 -0.123203D+01  0.306256D+01  0.902855D+00  0.147074D+00
               471           472           473           474           475 
      1   0.902855D+00  0.252450D+01  0.297455D+01  0.158113D+01  0.321951D+01
      2   0.147074D+00  0.297455D+01  0.484108D+01  0.282046D+01  0.174666D+01
      3   0.441018D+00  0.158113D+01  0.282046D+01  0.257654D+01  0.234656D+01
               476           477           478           479           480 
      1   0.174666D+01  0.234656D+01  0.449748D+01 -0.289885D+01  0.219270D+01
      2   0.287820D+01  0.260007D+01 -0.289885D+01  0.116486D+01 -0.654110D+00
      3   0.260007D+01  0.305845D+01  0.219270D+01 -0.654110D+00  0.149913D+01
               481           482           483           484           485 
      1  -0.103797D+02  0.192126D+01 -0.234061D+01  0.425779D+01 -0.705506D+00
      2   0.192126D+01 -0.183137D+01  0.106585D+01 -0.705506D+00  0.926608D+00
      3  -0.234061D+01  0.106585D+01 -0.125272D+01  0.268046D+01 -0.312691D+00
               486           487           488           489           490 
      1   0.268046D+01  0.321355D+01  0.832619D+00 -0.174368D+01  0.540762D+00
      2  -0.312691D+00  0.832619D+00  0.859612D+00 -0.764366D+00  0.134326D+01
      3   0.151962D+01 -0.174368D+01 -0.764366D+00  0.135235D+01 -0.861958D+00
               491           492           493           494           495 
      1   0.134326D+01 -0.861958D+00 -0.374145D+01 -0.141632D+01  0.178369D+01
      2   0.138509D+01 -0.601629D+00 -0.141632D+01 -0.106799D+01  0.119596D+01
      3  -0.601629D+00  0.117982D+01  0.178369D+01  0.119596D+01 -0.391210D+01
               496           497           498           499           500 
      1   0.168436D+02  0.799123D+00 -0.406989D+01  0.128180D+01  0.162772D+01
      2   0.799123D+00  0.104575D+01 -0.951858D-01  0.162772D+01 -0.171488D+00
      3  -0.406989D+01 -0.951858D-01  0.230776D+01 -0.391241D-02 -0.504917D+00
               501           502           503           504           505 
      1  -0.391241D-02 -0.262265D+01 -0.301128D+00  0.206085D+01  0.652217D+00
      2  -0.504917D+00 -0.301128D+00  0.176553D+00 -0.549914D-01 -0.369551D+00
      3  -0.144451D+00  0.206085D+01 -0.549914D-01 -0.105465D+01 -0.910416D+00
               506           507           508           509           510 
      1  -0.369551D+00 -0.910416D+00 -0.731928D-01  0.762938D-01  0.512070D+00
      2  -0.667938D+00 -0.652451D+00  0.762938D-01 -0.162304D+01 -0.182091D+01
      3  -0.652451D+00 -0.189101D+01  0.512070D+00 -0.182091D+01 -0.308331D+01
               511           512           513           514           515 
      1  -0.245731D+00  0.672439D+00  0.636071D+00 -0.160480D+01  0.118847D+01
      2   0.672439D+00 -0.153701D+01 -0.231085D+01  0.118847D+01 -0.952016D+00
      3   0.636071D+00 -0.231085D+01 -0.621143D+01 -0.140150D+01  0.134278D+01
               516           517           518           519           520 
      1  -0.140150D+01  0.174621D+01  0.382347D+00  0.942866D-01  0.168064D+01
      2   0.134278D+01  0.382347D+00  0.151047D+01 -0.145970D+01  0.483159D+00
      3  -0.353581D+01  0.942866D-01 -0.145970D+01  0.117067D+01 -0.941574D+00
               521           522           523           524           525 
      1   0.483159D+00 -0.941574D+00  0.828498D+01  0.413623D+01 -0.171398D+01
      2  -0.141394D+01  0.188856D+01  0.413623D+01  0.440391D+01 -0.102695D+01
      3   0.188856D+01 -0.482961D+01 -0.171398D+01 -0.102695D+01  0.115128D+01
               526           527           528           529           530 
      1   0.628552D+01  0.602024D+01 -0.204488D+01 -0.507188D+00  0.506121D+00
      2   0.602024D+01  0.662328D+01 -0.215953D+01  0.506121D+00 -0.818402D+00
      3  -0.204488D+01 -0.215953D+01  0.167240D+01  0.705411D+00  0.105531D+01
               531           532           533           534           535 
      1   0.705411D+00  0.595251D+01 -0.330826D+01  0.526669D+00 -0.561064D+01
      2   0.105531D+01 -0.330826D+01  0.203308D+01 -0.358773D+00  0.335200D+01
      3  -0.606558D+00  0.526669D+00 -0.358773D+00  0.926581D+00 -0.387611D+00
               536           537           538           539           540 
      1   0.335200D+01 -0.387611D+00  0.148091D+01 -0.842068D+00  0.167668D+01
      2  -0.488119D+01  0.519974D+00 -0.842068D+00  0.607496D+00 -0.717341D+00
      3   0.519974D+00 -0.471369D+00  0.167668D+01 -0.717341D+00  0.513457D+00
               541           542           543           544           545 
      1   0.875695D+01  0.487733D+01  0.670840D+00  0.431021D+00  0.361537D+01
      2   0.487733D+01  0.529746D+01  0.860737D+00  0.361537D+01  0.564561D+01
      3   0.670840D+00  0.860737D+00  0.711736D+00  0.541625D+00  0.475783D+00
               546           547           548           549           550 
      1   0.541625D+00 -0.131587D+01  0.118243D+00  0.637389D+00  0.230425D+00
      2   0.475783D+00  0.118243D+00 -0.191363D+00  0.942343D+00  0.210255D+01
      3   0.698479D+00  0.637389D+00  0.942343D+00  0.610073D+00 -0.920830D+00
               551           552           553           554           555 
      1   0.210255D+01 -0.920830D+00  0.129729D+01 -0.110555D+01  0.389708D+00
      2  -0.309471D+01  0.807089D+00 -0.110555D+01  0.360965D+01 -0.129851D+01
      3   0.807089D+00 -0.147848D+01  0.389708D+00 -0.129851D+01  0.706217D+00
               556           557           558           559           560 
      1  -0.959429D+00  0.702495D+00 -0.111714D+01 -0.609076D+00  0.859125D+00
      2   0.702495D+00 -0.295891D+01  0.130938D+01  0.859125D+00 -0.901878D+00
      3  -0.111714D+01  0.130938D+01 -0.130864D+01  0.965868D+00 -0.543337D+00
               561           562           563           564           565 
      1   0.965868D+00 -0.346118D+00 -0.276875D+00  0.775340D-01  0.395533D+00
      2  -0.543337D+00 -0.276875D+00 -0.263050D-01  0.786760D+00 -0.198301D+00
      3  -0.215345D+01  0.775340D-01  0.786760D+00  0.208935D+00 -0.910102D+00
               566           567 
      1  -0.198301D+00 -0.910102D+00
      2   0.218279D+01  0.198353D+01
      3   0.198353D+01  0.620619D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.977267D+01 -0.682665D+01 -0.208349D+01  0.688054D+01  0.232911D+01
      2  -0.257017D+02 -0.977121D+00  0.166365D+02  0.512758D+01  0.375435D+01
      3  -0.794064D+02 -0.315807D+01 -0.548056D+01  0.548484D+02  0.736584D+00
                 6             7             8             9            10 
      1  -0.381196D+01 -0.137027D+02  0.540746D+01 -0.836352D+01 -0.213232D+02
      2   0.227881D+02  0.303966D+00  0.212758D+02  0.639197D+01  0.456872D+02
      3  -0.575890D+01 -0.864015D+02  0.103469D+02 -0.234895D+02 -0.584119D+02
                11            12            13            14            15 
      1   0.617665D+01  0.139765D+01  0.925382D+01  0.228033D+01 -0.484362D+01
      2   0.517023D+01 -0.402363D+01 -0.396765D+02 -0.153396D+02 -0.230836D+02
      3   0.290766D+02 -0.613017D+01 -0.270815D+01  0.119009D+02  0.100228D+02
                16            17            18            19            20 
      1   0.363105D+02  0.464842D+01  0.518548D+01  0.726706D+02 -0.593285D+01
      2  -0.187857D+02 -0.168876D+02  0.107140D+01 -0.373092D+02  0.438789D+01
      3   0.170461D+03 -0.160839D+02  0.272579D+02  0.296059D+03 -0.658796D+02
                21            22            23            24            25 
      1   0.326366D+01 -0.633385D+02 -0.285531D+01 -0.216733D+01  0.473688D+02
      2   0.466376D+01  0.166926D+03  0.444888D+00  0.318859D+02 -0.548312D+03
      3   0.944788D+00  0.217019D+03 -0.107909D+03 -0.535016D+01 -0.214830D+03
                26            27            28            29            30 
      1   0.661756D+01 -0.191950D+01 -0.177656D+03 -0.101647D+02 -0.694950D+01
      2  -0.135748D+02  0.104494D+02 -0.246270D+03 -0.153900D+02  0.297977D+02
      3  -0.340075D+02 -0.294465D+02 -0.122768D+04 -0.196912D+03 -0.101536D+02
                31            32            33            34            35 
      1   0.166360D+03 -0.848048D+01  0.131293D+02  0.956358D+02  0.103671D+02
      2  -0.157717D+03  0.734079D+01 -0.184022D+02 -0.246420D+03 -0.216522D+02
      3  -0.860450D+03 -0.132860D+03  0.618943D+02  0.115969D+03 -0.199681D+02
                36            37            38            39            40 
      1  -0.552587D+00  0.352709D+02  0.122594D+01  0.404541D+01  0.295259D+02
      2  -0.910435D+01  0.242592D+02  0.434685D+01 -0.624826D+01 -0.155943D+03
      3  -0.286912D+02  0.272542D+03  0.442243D+02 -0.492196D+01  0.515801D+03
                41            42            43            44            45 
      1   0.122833D+02 -0.957329D+01 -0.108869D+03  0.709070D+01 -0.344561D+01
      2  -0.375204D+02 -0.230500D+01  0.597440D+03  0.640284D+02  0.133705D+02
      3   0.810778D+02  0.983227D+01 -0.226197D+03  0.461513D+02  0.428804D+01
                46            47            48            49            50 
      1   0.284317D+02  0.627061D+01 -0.921624D+01  0.260298D+02 -0.781207D+01
      2  -0.169384D+03 -0.297881D+02  0.221644D+02 -0.121936D+03 -0.117452D+02
      3  -0.470294D+01 -0.145186D+02  0.668319D+01 -0.276617D+02 -0.375154D+02
                51            52            53            54            55 
      1  -0.300233D+01 -0.373698D+01  0.292397D+01  0.556741D+01 -0.210954D+02
      2  -0.329313D+01 -0.413265D+02 -0.144976D+02  0.308965D+01 -0.333118D+00
      3  -0.690685D+01 -0.160320D+02 -0.105092D+02  0.160068D+02 -0.108705D+03
                56            57            58            59            60 
      1   0.334608D+01 -0.554847D+01 -0.362995D+02 -0.692393D+01 -0.174211D+01
      2   0.832202D+00  0.215398D+02  0.253436D+03  0.501409D+02  0.271208D+02
      3  -0.182035D+02  0.129489D+02 -0.213237D+03 -0.387108D+02 -0.201542D+02
                61            62            63            64            65 
      1  -0.928255D+01  0.597307D+01  0.536754D+01  0.467444D+03  0.262650D+02
      2  -0.280452D+02  0.775580D+01 -0.174373D+02 -0.180340D+04 -0.165110D+03
      3   0.453975D+02 -0.157094D+02 -0.105961D+02 -0.241515D+03  0.762045D+02
                66            67            68            69            70 
      1   0.138306D+02  0.247883D+03  0.232283D+02  0.256273D-01  0.318974D+03
      2  -0.415440D+02 -0.181044D+04 -0.176600D+03 -0.240027D+02 -0.197518D+04
      3   0.210445D+03  0.182877D+04  0.165005D+03  0.145776D+03  0.408091D+03
                71            72            73            74            75 
      1   0.132303D+02  0.513895D+00 -0.358020D+00  0.244746D+00 -0.859776D+01
      2  -0.151091D+03 -0.933431D+01  0.553539D+01  0.680830D-02  0.805109D+01
      3  -0.210230D+02  0.984105D+02  0.116382D+03  0.423408D+03 -0.194729D+00
                76            77            78            79            80 
      1   0.972312D+00  0.210077D-02 -0.125883D+02 -0.369476D+03 -0.114831D+02
      2  -0.627967D+01 -0.125760D+01  0.704009D+02  0.372699D+04  0.113068D+03
      3  -0.241692D+04 -0.146358D+03  0.117516D+01  0.146009D+02  0.258490D+01
                81            82            83            84            85 
      1   0.462178D-01  0.385226D+03  0.175065D+02  0.455118D+00 -0.200425D+03
      2  -0.565159D+00 -0.186621D+04 -0.180928D+03  0.227450D+02  0.144307D+04
      3  -0.116172D+03  0.161016D+04 -0.564108D+02  0.181901D+03  0.935930D+03
                86            87            88            89            90 
      1  -0.866510D+01 -0.155877D+01 -0.974965D+02 -0.667894D+01  0.187689D+01
      2   0.192752D+03 -0.959432D+01 -0.179206D+03  0.909066D+02 -0.612812D+01
      3  -0.124325D+03 -0.183144D+03  0.113562D+03 -0.383610D+02  0.781512D+01
                91            92            93            94            95 
      1  -0.131080D+03 -0.216397D+01 -0.299326D+01 -0.152263D+03  0.131340D+01
      2   0.255130D+03  0.419494D+02 -0.222676D+02  0.692153D+03  0.129968D+02
      3  -0.599810D+03 -0.305493D+02 -0.521177D+02 -0.104787D+04  0.324777D+03
                96            97            98            99           100 
      1  -0.516277D+01 -0.102085D+03  0.115542D+02 -0.227372D+01  0.163553D+02
      2  -0.146632D+02  0.160408D+03 -0.129184D+02 -0.196380D+01 -0.123369D+03
      3  -0.192597D+02 -0.587209D+03  0.504913D+02 -0.527439D+01  0.798155D+02
               101           102           103           104           105 
      1   0.301209D+01 -0.347042D+01  0.215655D+01 -0.243154D+01 -0.130621D+01
      2  -0.114512D+02 -0.758920D+00 -0.106042D+03  0.170857D+02 -0.314359D+01
      3   0.493911D+02  0.183624D+02 -0.947974D+02 -0.139288D+03 -0.224429D+02
               106           107           108           109           110 
      1   0.383991D+02  0.158048D+02  0.238827D+01  0.255505D+02 -0.552279D+00
      2   0.203309D+03 -0.234051D+02 -0.584288D+01 -0.255364D+02 -0.489669D+01
      3   0.358882D+03 -0.596602D+01  0.132746D+01  0.701599D+02 -0.280078D+02
               111           112           113           114           115 
      1   0.436017D+01 -0.271735D+02  0.412608D+01 -0.490793D+01  0.215379D+02
      2   0.358451D+01  0.455599D+02  0.103169D+02 -0.747474D+00 -0.680610D+02
      3  -0.627956D+01 -0.780572D+02  0.291378D+02 -0.204611D+01  0.336161D+02
               116           117           118           119           120 
      1  -0.486841D+01  0.138779D+02 -0.200659D+02  0.444994D+01 -0.127463D+02
      2  -0.651094D+01  0.121305D+02  0.593447D+02  0.600623D+01  0.138896D+02
      3  -0.210006D+02  0.413384D+00 -0.552177D+02 -0.254406D+02  0.733173D+01
               121           122           123           124           125 
      1  -0.299583D+01 -0.960055D+01  0.604679D+00 -0.117025D+02  0.105205D+02
      2   0.218328D+02  0.126424D+02 -0.945818D+00  0.233521D+02 -0.106715D+01
      3  -0.210364D+02 -0.995308D+01 -0.169595D+02  0.168561D+02 -0.135018D+02
               126           127           128           129           130 
      1   0.154158D+02  0.900496D+01 -0.419552D+01  0.651683D+01  0.169119D+01
      2  -0.142073D+02  0.164127D+02  0.800282D+01 -0.136758D+02 -0.814091D+02
      3   0.140257D+02 -0.203111D+02  0.104101D+02 -0.117773D+02  0.108453D+03
               131           132           133           134           135 
      1   0.327172D+01 -0.163791D+01  0.373544D+01  0.338708D+01 -0.704255D+01
      2  -0.284988D+02 -0.257831D+02 -0.762528D+01 -0.204882D+02  0.166097D+02
      3   0.215610D+02  0.255185D+02 -0.504429D+02  0.201480D+02  0.158623D+02
               136           137           138           139           140 
      1   0.109307D+02 -0.306433D+01  0.719261D+01 -0.944947D+01 -0.345505D-02
      2  -0.144235D+02 -0.388545D+01 -0.220899D+01 -0.882317D+01 -0.162133D+02
      3  -0.485131D+02 -0.247056D+01 -0.874056D+01  0.854822D+01  0.667369D+01
               141           142           143           144           145 
      1  -0.170235D+02  0.574474D+01 -0.660711D+01 -0.802431D+01 -0.467180D+03
      2  -0.154799D+02 -0.158834D+02 -0.145426D+02  0.136105D+02  0.180161D+04
      3   0.186997D+02  0.723765D+01  0.167026D+02  0.812679D+01 -0.169057D+03
               146           147           148           149           150 
      1  -0.266748D+02  0.138967D+02 -0.248365D+03 -0.232681D+02  0.826685D-01
      2   0.166599D+03 -0.418063D+02  0.181574D+04  0.177161D+03 -0.244706D+02
      3   0.743337D+02 -0.210504D+03  0.188488D+04  0.161937D+03 -0.146797D+03
               151           152           153           154           155 
      1   0.319698D+03  0.133441D+02 -0.570808D+00  0.178009D+03  0.104477D+02
      2  -0.197972D+04 -0.152028D+03  0.988744D+01  0.242189D+03  0.142946D+02
      3  -0.438056D+03  0.200814D+02  0.989232D+02 -0.122120D+04 -0.198912D+03
               156           157           158           159           160 
      1  -0.694963D+01 -0.166359D+03  0.799558D+01  0.131283D+02  0.952560D+02
      2   0.296177D+02  0.153777D+03 -0.646567D+01 -0.182365D+02 -0.245583D+03
      3   0.108973D+02 -0.843207D+03 -0.132817D+03 -0.616301D+02 -0.116322D+03
               161           162           163           164           165 
      1   0.104174D+02  0.511810D+00 -0.352422D+02 -0.122058D+01  0.404691D+01
      2  -0.215074D+02  0.917201D+01 -0.242412D+02 -0.437535D+01 -0.620721D+01
      3   0.204616D+02 -0.285822D+02  0.275564D+03  0.445361D+02  0.483484D+01
               166           167           168           169           170 
      1  -0.295042D+02 -0.122795D+02 -0.954658D+01 -0.108717D+03  0.707994D+01
      2   0.157180D+03  0.376630D+02 -0.238744D+01  0.598120D+03  0.640353D+02
      3   0.514051D+03  0.815523D+02 -0.999295D+01  0.227363D+03 -0.457931D+02
               171           172           173           174           175 
      1   0.351564D+01  0.210413D+02 -0.332315D+01 -0.553600D+01  0.361244D+02
      2  -0.136186D+02  0.515181D+00 -0.862716D+00  0.214702D+02 -0.253424D+03
      3   0.426150D+01 -0.107933D+03 -0.183595D+02 -0.128902D+02 -0.211896D+03
               176           177           178           179           180 
      1   0.688538D+01 -0.177526D+01 -0.923839D+01  0.596340D+01 -0.538920D+01
      2  -0.501747D+02  0.272092D+02 -0.282343D+02  0.781956D+01  0.175008D+02
      3  -0.387010D+02  0.201683D+02 -0.444736D+02  0.155727D+02 -0.106207D+02
               181           182           183           184           185 
      1   0.212771D+02 -0.615956D+01  0.140184D+01 -0.906136D+01 -0.221954D+01
      2  -0.454732D+02 -0.513679D+01 -0.398193D+01  0.394221D+02  0.153108D+02
      3  -0.591629D+02  0.288135D+02  0.611642D+01 -0.335479D+01  0.116745D+02
               186           187           188           189           190 
      1  -0.483463D+01  0.363725D+02  0.470051D+01 -0.519099D+01 -0.728651D+02
      2  -0.231113D+02 -0.181032D+02 -0.169110D+02 -0.114293D+01  0.370940D+02
      3  -0.994995D+01 -0.171597D+03  0.158735D+02  0.272666D+02  0.297133D+03
               191           192           193           194           195 
      1   0.568790D+01  0.326018D+01  0.631913D+02  0.291464D+01 -0.217017D+01
      2  -0.435595D+01  0.471484D+01 -0.167737D+03 -0.181757D+01  0.319061D+02
      3  -0.645327D+02 -0.979029D+00  0.218873D+03 -0.106728D+03  0.540084D+01
               196           197           198           199           200 
      1   0.470723D+02  0.667422D+01  0.190270D+01  0.984053D+01  0.687476D+01
      2  -0.549170D+03 -0.135755D+02 -0.102212D+02  0.258941D+02  0.977472D+00
      3   0.214562D+03  0.336052D+02 -0.294803D+02 -0.801267D+02 -0.327058D+01
               201           202           203           204           205 
      1  -0.210475D+01 -0.690027D+01 -0.233403D+01 -0.380786D+01 -0.137122D+02
      2   0.166162D+02 -0.540541D+01 -0.380525D+01  0.227923D+02 -0.156890D-01
      3   0.552212D+01  0.552910D+02  0.872061D+00  0.573003D+01  0.863952D+02
               206           207           208           209           210 
      1   0.538038D+01  0.837497D+01 -0.283447D+02 -0.626411D+01 -0.919078D+01
      2   0.212509D+02 -0.634573D+01  0.169176D+03  0.297223D+02  0.220881D+02
      3  -0.101467D+02 -0.234763D+02 -0.361205D+01 -0.145221D+02 -0.669656D+01
               211           212           213           214           215 
      1  -0.260440D+02  0.779884D+01 -0.301440D+01 -0.371659D+01  0.289275D+01
      2   0.122205D+03  0.117204D+02 -0.330602D+01 -0.415429D+02 -0.144199D+02
      3  -0.271184D+02 -0.374566D+02  0.691177D+01  0.148216D+02  0.105207D+02
               216           217           218           219           220 
      1  -0.560943D+01 -0.109292D+02  0.309739D+01  0.714116D+01  0.953423D+01
      2  -0.300435D+01  0.144507D+02  0.394992D+01 -0.215083D+01  0.882846D+01
      3   0.159643D+02 -0.480384D+02 -0.244867D+01  0.870675D+01  0.875435D+01
               221           222           223           224           225 
      1  -0.424306D-01 -0.170182D+02  0.566835D+01 -0.660654D+01  0.807161D+01
      2   0.161792D+02 -0.155139D+02 -0.158352D+02 -0.145580D+02 -0.136081D+02
      3   0.654222D+01 -0.187068D+02 -0.728191D+01 -0.167012D+02  0.819641D+01
               226           227           228           229           230 
      1  -0.900911D+01  0.417762D+01  0.649390D+01 -0.166242D+01 -0.325774D+01
      2  -0.165804D+02 -0.797725D+01 -0.135943D+02  0.815347D+02  0.284857D+02
      3  -0.203075D+02  0.104484D+02  0.117472D+02  0.107880D+03  0.215772D+02
               231           232           233           234           235 
      1  -0.158651D+01  0.371683D+01  0.341498D+01  0.706864D+01  0.201126D+02
      2  -0.258578D+02 -0.763700D+01 -0.205435D+02 -0.166536D+02 -0.593891D+02
      3  -0.254766D+02  0.499623D+02 -0.200198D+02  0.159262D+02 -0.549315D+02
               236           237           238           239           240 
      1  -0.442087D+01 -0.127191D+02  0.303540D+01  0.960224D+01  0.564339D+00
      2  -0.605885D+01  0.138638D+02 -0.219974D+02 -0.126416D+02 -0.900817D+00
      3  -0.254932D+02 -0.733375D+01 -0.220287D+02 -0.996190D+01  0.169431D+02
               241           242           243           244           245 
      1  -0.116457D+02  0.104818D+02 -0.154790D+02  0.131029D+03  0.240506D+01
      2   0.231782D+02 -0.101670D+01  0.142521D+02 -0.253327D+03 -0.407695D+02
      3  -0.163369D+02  0.134263D+02  0.139427D+02 -0.608656D+03 -0.342086D+02
               246           247           248           249           250 
      1  -0.297779D+01  0.152190D+03 -0.961317D+00 -0.520648D+01 -0.102373D+03
      2  -0.223232D+02 -0.691097D+03 -0.126926D+02 -0.145383D+02  0.159548D+03
      3   0.519654D+02 -0.106779D+04  0.323704D+03  0.196717D+02  0.593717D+03
               251           252           253           254           255 
      1   0.115461D+02  0.228866D+01 -0.164446D+02 -0.300396D+01 -0.346968D+01
      2  -0.128330D+02  0.196785D+01  0.123294D+03  0.113918D+02 -0.792572D+00
      3  -0.498549D+02 -0.535815D+01  0.842258D+02  0.491361D+02 -0.183942D+02
               256           257           258           259           260 
      1  -0.205995D+01  0.251511D+01 -0.129736D+01  0.382333D+02  0.157612D+02
      2   0.106776D+03 -0.168918D+02 -0.319047D+01  0.204423D+03 -0.232923D+02
      3  -0.943574D+02 -0.139353D+03  0.223680D+02 -0.357975D+03  0.618500D+01
               261           262           263           264           265 
      1  -0.239697D+01 -0.254807D+02  0.565906D+00  0.436956D+01  0.270533D+02
      2   0.573939D+01  0.253297D+02  0.490459D+01  0.359227D+01 -0.453293D+02
      3   0.140050D+01  0.715969D+02 -0.281296D+02  0.624480D+01 -0.798050D+02
               266           267           268           269           270 
      1  -0.416146D+01 -0.491323D+01  0.214626D+02 -0.487864D+01 -0.138777D+02
      2  -0.103136D+02 -0.747481D+00 -0.678574D+02 -0.649775D+01 -0.121206D+02
      3   0.293635D+02  0.209317D+01 -0.356491D+02  0.210799D+02  0.451121D+00
               271           272           273           274           275 
      1  -0.385320D+03 -0.177644D+02  0.519984D+00  0.200093D+03  0.873437D+01
      2   0.186461D+04  0.179461D+03  0.223383D+02 -0.143991D+04 -0.192018D+03
      3   0.167915D+04 -0.555731D+02 -0.182172D+03  0.867305D+03 -0.122080D+03
               276           277           278           279           280 
      1  -0.159143D+01 -0.966146D+02 -0.666468D+01 -0.185795D+01 -0.215287D+01
      2  -0.920695D+01 -0.181201D+03  0.901117D+02  0.614241D+01  0.137275D+03
      3   0.182390D+03 -0.106074D+03  0.355611D+02  0.806537D+01 -0.499307D+02
               281           282           283           284           285 
      1   0.170864D+01  0.380121D+01  0.260251D+00  0.206482D+01 -0.515381D+00
      2   0.735360D+00  0.471499D+01 -0.914819D+02  0.387676D+01 -0.714040D+00
      3  -0.460178D+02 -0.451941D+01  0.669543D+02  0.179375D+02 -0.175696D+01
               286           287           288           289           290 
      1  -0.548202D+01 -0.130401D+01  0.109202D+02 -0.363084D+01 -0.746078D+00
      2   0.997377D+02  0.472854D+01  0.102271D+02  0.628745D+01  0.535867D+01
      3   0.873637D+01 -0.259849D+02 -0.691104D+01  0.244649D+02  0.209556D+02
               291           292           293           294           295 
      1  -0.336353D+01 -0.266514D+01 -0.160434D+01 -0.516286D+01 -0.241319D+01
      2  -0.131281D+00 -0.202936D+02  0.668402D+01 -0.570071D+00 -0.148021D+02
      3  -0.391214D+01  0.828409D+02  0.420668D+02 -0.689819D+01  0.335465D+01
               296           297           298           299           300 
      1  -0.337003D+01  0.274118D+01  0.364795D+01  0.728662D+00 -0.336317D+01
      2  -0.281354D+01  0.244041D+01 -0.642055D+01 -0.537181D+01 -0.132779D+00
      3  -0.624922D+01  0.758227D+01  0.244177D+02  0.208465D+02  0.392847D+01
               301           302           303           304           305 
      1   0.264454D+01  0.155009D+01 -0.515836D+01 -0.241662D+01 -0.338086D+01
      2   0.200385D+02 -0.670178D+01 -0.580300D+00 -0.148174D+02 -0.281392D+01
      3   0.830768D+02  0.419087D+02  0.690016D+01 -0.331096D+01  0.621803D+01
               306           307           308           309           310 
      1  -0.274329D+01  0.219056D+01 -0.171612D+01  0.379605D+01 -0.252873D+00
      2  -0.243681D+01 -0.136993D+03 -0.641829D+00  0.476265D+01  0.911983D+02
      3   0.757138D+01 -0.527675D+02 -0.459992D+02  0.452990D+01  0.689248D+02
               311           312           313           314           315 
      1  -0.208281D+01 -0.514942D+00 -0.552007D+01 -0.130683D+01 -0.109108D+02
      2  -0.393647D+01 -0.749772D+00  0.995937D+02  0.468059D+01 -0.102492D+02
      3   0.178829D+02  0.174714D+01 -0.609772D+01  0.259394D+02 -0.692836D+01
               316           317           318           319           320 
      1  -0.386331D+01  0.508115D+01 -0.298469D+01  0.499809D+01  0.363782D+01
      2   0.910427D+01  0.405930D+00  0.537296D+01 -0.137888D+02  0.267688D+00
      3  -0.627629D+01 -0.184926D+02 -0.842148D+00 -0.150814D+02 -0.167969D+02
               321           322           323           324           325 
      1  -0.428549D+01 -0.899714D+01 -0.144822D+00  0.531784D+00  0.148400D+00
      2   0.596697D+01  0.534905D+02  0.114810D+02  0.244338D+01  0.517669D+01
      3  -0.502927D+01 -0.124035D+02 -0.135536D+02 -0.485116D+01 -0.699085D+01
               326           327           328           329           330 
      1   0.512269D+00  0.750478D+01 -0.184003D+01 -0.150119D+01 -0.156751D+01
      2  -0.964790D+01 -0.191212D+02  0.575231D+01  0.827891D+01  0.594954D+01
      3   0.762673D+01  0.108003D+02  0.159776D+02 -0.528616D+01 -0.725562D+01
               331           332           333           334           335 
      1   0.612909D+01  0.282205D-01 -0.837875D+01 -0.229231D+01  0.353404D+01
      2  -0.246129D+02  0.739354D+01  0.258975D+02 -0.859850D+00 -0.603694D-02
      3  -0.324206D+01 -0.585854D+01 -0.129016D+02 -0.779074D+01 -0.994301D+01
               336           337           338           339           340 
      1  -0.152529D+01  0.698723D+01  0.885986D+00 -0.121230D+01  0.400798D+01
      2   0.109570D+02 -0.246366D+01  0.851632D+00 -0.747098D+00  0.156974D+02
      3   0.108789D+01 -0.251710D+02  0.425280D+01 -0.134747D+01 -0.366496D+02
               341           342           343           344           345 
      1   0.576574D+00 -0.180954D+01 -0.223421D+01 -0.274888D+01  0.153769D+01
      2   0.495516D+00  0.316964D+01  0.897294D+01  0.473959D+01 -0.115677D+02
      3   0.178899D+01  0.109548D+01  0.111566D+02  0.343041D+01 -0.464864D+01
               346           347           348           349           350 
      1  -0.133027D+01 -0.577289D+01  0.344892D+01 -0.338656D+01  0.553120D+01
      2  -0.429385D+01  0.104372D+02 -0.174391D+02 -0.203317D+01 -0.132633D+02
      3   0.107607D+02  0.114572D+02 -0.104046D+02  0.101779D+02 -0.914422D+01
               351           352           353           354           355 
      1  -0.646281D+01 -0.142929D+01  0.215880D+00  0.192398D+01  0.666773D+01
      2   0.347564D+02 -0.235672D+01  0.906517D+00  0.587453D+01 -0.193745D+01
      3   0.142090D+02  0.529940D+01 -0.110856D+02 -0.241019D+01 -0.228596D+02
               356           357           358           359           360 
      1  -0.126668D+01 -0.259846D+01 -0.711050D+01  0.177084D+01 -0.125617D+01
      2  -0.123533D+01 -0.400142D+01 -0.302436D+00 -0.417205D+01 -0.210286D+01
      3   0.299282D+02  0.264771D+01  0.375271D+02  0.293824D+01  0.431605D+01
               361           362           363           364           365 
      1   0.929415D+01  0.346844D+01  0.316501D+00  0.407301D+01  0.344710D+01
      2  -0.186556D+02 -0.551283D+01 -0.859803D+01 -0.112266D+02 -0.699607D+01
      3   0.622682D+01  0.562141D+01 -0.294348D+01  0.115053D+02  0.397072D+01
               366           367           368           369           370 
      1   0.760395D+00  0.119460D+01  0.233920D+01  0.109242D+01  0.187984D+01
      2  -0.267476D+01 -0.512038D+01 -0.207654D+01 -0.243165D+01 -0.684170D+01
      3   0.213710D+01 -0.181723D+02 -0.680567D+00  0.416161D+01 -0.110546D+02
               371           372           373           374           375 
      1  -0.660103D+00 -0.829004D+00 -0.174596D+01 -0.120307D+02  0.442117D+01
      2   0.147653D+01  0.691288D+00  0.438459D+00 -0.119157D+02  0.198036D+02
      3  -0.153431D+01 -0.109977D+01 -0.115788D+02 -0.167287D+02  0.131337D+02
               376           377           378           379           380 
      1   0.112173D+01  0.784837D+01 -0.446658D+01  0.777386D+01 -0.677199D+01
      2  -0.508487D+00  0.105861D+02 -0.207044D+02 -0.154486D+01  0.100801D+01
      3   0.639884D+01  0.895178D+01 -0.113589D+02  0.850760D+01 -0.997514D+01
               381           382           383           384           385 
      1  -0.514542D+01 -0.848463D+01  0.106054D+02  0.715591D+01 -0.534540D+01
      2   0.957364D+01  0.388494D+01 -0.600807D+01 -0.793938D+01  0.707395D+01
      3  -0.795123D+01 -0.214894D+01  0.153769D+02  0.121416D+02  0.354486D+01
               386           387           388           389           390 
      1   0.617091D+01  0.521041D+01 -0.503043D+01 -0.164382D+01 -0.347704D+01
      2  -0.258121D+01 -0.880290D+01  0.130656D+02  0.577468D+01  0.122790D+02
      3   0.895503D+01  0.697279D+01  0.100261D+02 -0.399249D+01 -0.186179D+01
               391           392           393           394           395 
      1  -0.283097D+01 -0.178908D+01 -0.407263D+01 -0.316542D+01 -0.165851D+01
      2   0.323137D+01  0.518087D+01  0.102885D+02  0.104103D+02  0.904382D+01
      3  -0.564782D+01 -0.767321D+01 -0.353185D+01 -0.909850D+01 -0.729297D+01
               396           397           398           399           400 
      1  -0.102007D+02  0.907527D+01 -0.291009D+01 -0.256556D+01 -0.406884D+01
      2   0.339955D+02 -0.218292D+02 -0.607662D+00  0.983490D+01 -0.155147D+02
      3  -0.566158D+01  0.141560D+01 -0.173812D+02 -0.899227D+01 -0.364502D+02
               401           402           403           404           405 
      1   0.480567D+01  0.179111D+01 -0.543821D+01  0.246564D+01  0.228738D+01
      2  -0.670436D+01 -0.581729D+01  0.787958D+01 -0.141614D+01 -0.659808D+01
      3   0.166479D+02  0.115723D+02 -0.409943D+01  0.954463D+01  0.647227D+01
               406           407           408           409           410 
      1   0.176556D+01 -0.240730D+00 -0.779108D+00 -0.566284D+00 -0.277910D+01
      2   0.431689D+00  0.433855D-01  0.250530D+01 -0.679413D+01 -0.161300D+02
      3  -0.122358D+02 -0.232465D+01  0.253875D+00 -0.221307D+02 -0.310232D+02
               411           412           413           414           415 
      1  -0.289898D+01 -0.247107D+01  0.111311D+01  0.267878D+01 -0.692234D+01
      2   0.168622D+02  0.976392D+01  0.154333D+02 -0.178041D+02  0.129780D+02
      3   0.172950D+02  0.142425D+02  0.190987D+02 -0.147150D+02 -0.110270D+02
               416           417           418           419           420 
      1   0.516339D+01  0.756932D+01  0.499591D+01 -0.736009D+01 -0.543635D+01
      2  -0.254149D+00 -0.294640D+01 -0.418208D+00  0.345197D+01  0.149590D+01
      3   0.197520D+02  0.832889D+01  0.349848D+01 -0.195726D+02 -0.709024D+01
               421           422           423           424           425 
      1   0.620446D+01 -0.546592D+01 -0.663517D+01 -0.383433D+01 -0.105313D+01
      2  -0.121976D+02  0.390859D+01  0.291905D+01  0.134064D+02  0.241568D+01
      3   0.785945D+01 -0.145358D+02 -0.104102D+02  0.140406D+02 -0.584052D+01
               426           427           428           429           430 
      1  -0.367972D+01  0.149552D+01 -0.264089D+01 -0.353633D+01 -0.391211D+01
      2   0.316496D+01 -0.598208D+01  0.154552D+01  0.298326D+01  0.813691D+01
      3   0.128689D+01 -0.247365D+02 -0.113700D+02 -0.105451D+01  0.898900D+01
               431           432           433           434           435 
      1  -0.202051D+01  0.153274D+01  0.457343D+01 -0.738985D+00  0.789659D+01
      2   0.389139D+01 -0.155901D+01 -0.147081D+02  0.136112D+01 -0.739137D+01
      3  -0.166925D+01 -0.169052D+01 -0.137437D+01  0.713239D+01 -0.659566D+01
               436           437           438           439           440 
      1   0.781958D+00  0.269721D+01 -0.179588D+00  0.222079D+01 -0.201150D+01
      2  -0.212973D+01 -0.234487D+01  0.999891D+00 -0.502352D+01  0.667132D+01
      3   0.167812D+01 -0.574680D+00  0.280379D+01  0.115967D+01  0.974662D+01
               441           442           443           444           445 
      1   0.234111D+02 -0.188751D+01  0.638086D+00 -0.840412D+00  0.172327D+01
      2  -0.205237D+02  0.686918D+01 -0.150972D+01  0.654148D+00 -0.444896D+00
      3  -0.146282D+02 -0.110327D+02 -0.149399D+01  0.112787D+01 -0.116145D+02
               446           447           448           449           450 
      1   0.120622D+02  0.442056D+01  0.110715D+01  0.785246D+01  0.446122D+01
      2   0.119300D+02  0.197993D+02 -0.522632D+00  0.105831D+02  0.206652D+02
      3  -0.167498D+02 -0.131467D+02 -0.639036D+01 -0.893371D+01 -0.113594D+02
               451           452           453           454           455 
      1  -0.929021D+01 -0.345606D+01  0.300846D+00 -0.408634D+01 -0.344371D+01
      2   0.186849D+02  0.547773D+01 -0.854627D+01  0.112358D+02  0.698429D+01
      3   0.623339D+01  0.565992D+01  0.296637D+01  0.117126D+02  0.395684D+01
               456           457           458           459           460 
      1   0.751812D+00  0.118059D+01  0.232856D+01 -0.109637D+01 -0.776081D+01
      2  -0.267715D+01 -0.512336D+01 -0.207584D+01  0.239522D+01  0.155892D+01
      3  -0.212682D+01  0.182123D+02  0.671119D+00  0.416741D+01  0.857152D+01
               461           462           463           464           465 
      1   0.676736D+01 -0.515698D+01  0.846540D+01 -0.105768D+02  0.716448D+01
      2  -0.103357D+01  0.958820D+01 -0.390691D+01  0.601964D+01 -0.794659D+01
      3  -0.993913D+01  0.794022D+01 -0.197688D+01  0.153143D+02 -0.121251D+02
               466           467           468           469           470 
      1  -0.536395D+01  0.618662D+01 -0.523347D+01 -0.175359D+01  0.250355D+00
      2   0.709140D+01 -0.259530D+01  0.885552D+01 -0.391774D+00 -0.546146D-01
      3  -0.369034D+01 -0.895868D+01  0.698174D+01 -0.122230D+02 -0.228939D+01
               471           472           473           474           475 
      1  -0.777892D+00  0.576852D+00  0.280579D+01 -0.288383D+01 -0.247147D+01
      2   0.250622D+01  0.681119D+01  0.161387D+02  0.168637D+02  0.979073D+01
      3  -0.251668D+00 -0.222025D+02 -0.310428D+02 -0.173177D+02 -0.142479D+02
               476           477           478           479           480 
      1   0.113097D+01 -0.266687D+01 -0.910123D+01  0.291966D+01 -0.257406D+01
      2   0.154249D+02  0.178038D+02  0.218701D+02  0.585097D+00  0.983943D+01
      3  -0.191036D+02 -0.147251D+02  0.988118D+00 -0.173377D+02  0.901103D+01
               481           482           483           484           485 
      1   0.408139D+01 -0.482631D+01  0.180841D+01 -0.546170D+01  0.248161D+01
      2   0.154484D+02  0.672492D+01 -0.584586D+01  0.794201D+01 -0.143503D+01
      3  -0.363822D+02  0.166604D+02 -0.116035D+02  0.401774D+01 -0.957911D+01
               486           487           488           489           490 
      1  -0.230329D+01  0.503979D+01  0.164269D+01 -0.348632D+01  0.283100D+01
      2   0.664465D+01 -0.131200D+02 -0.577400D+01  0.123245D+02 -0.324635D+01
      3   0.649682D+01  0.101136D+02 -0.401760D+01  0.186616D+01 -0.565981D+01
               491           492           493           494           495 
      1   0.178176D+01 -0.405831D+01 -0.316881D+01 -0.165166D+01  0.101785D+02
      2  -0.516024D+01  0.102558D+02  0.104330D+02  0.901222D+01 -0.339711D+02
      3  -0.766879D+01  0.351136D+01  0.915131D+01  0.727506D+01 -0.562901D+01
               496           497           498           499           500 
      1   0.228588D+01 -0.351998D+01 -0.152173D+01 -0.696459D+01 -0.857382D+00
      2   0.903135D+00  0.234466D-02  0.109538D+02  0.253980D+01 -0.850889D+00
      3  -0.797666D+01 -0.994586D+01 -0.108105D+01 -0.250198D+02  0.431363D+01
               501           502           503           504           505 
      1  -0.121421D+01  0.400338D+01  0.551023D+00  0.180493D+01  0.222990D+01
      2  -0.743846D+00  0.155726D+02  0.484758D+00 -0.314203D+01 -0.895418D+01
      3   0.134228D+01  0.366265D+02 -0.187519D+01  0.108787D+01  0.110245D+02
               506           507           508           509           510 
      1   0.273799D+01  0.152793D+01  0.132288D+01  0.576589D+01  0.344381D+01
      2  -0.473023D+01 -0.115442D+02  0.427425D+01 -0.104474D+02 -0.174485D+02
      3   0.341748D+01  0.463426D+01  0.109307D+02  0.114559D+02  0.104146D+02
               511           512           513           514           515 
      1  -0.338580D+01  0.553988D+01  0.644966D+01 -0.159584D+00 -0.516630D+00
      2  -0.198003D+01 -0.132784D+02 -0.347716D+02 -0.514854D+01  0.965817D+01
      3  -0.100792D+02  0.916621D+01  0.142172D+02 -0.678051D+01  0.761971D+01
               516           517           518           519           520 
      1   0.750212D+01  0.184635D+01  0.150198D+01 -0.157156D+01  0.612157D+01
      2  -0.191333D+02 -0.574767D+01 -0.828161D+01  0.596857D+01 -0.246230D+02
      3  -0.108056D+02  0.157856D+02 -0.528289D+01  0.726547D+01  0.341947D+01
               521           522           523           524           525 
      1   0.282710D-01  0.839802D+01  0.385780D+01 -0.508090D+01 -0.298271D+01
      2   0.739842D+01 -0.259708D+02 -0.916138D+01 -0.429080D+00  0.537898D+01
      3   0.584379D+01 -0.129407D+02 -0.658630D+01 -0.185499D+02  0.856685D+00
               526           527           528           529           530 
      1  -0.501047D+01 -0.364013D+01 -0.428079D+01 -0.898358D+01 -0.151912D+00
      2   0.138472D+02 -0.229035D+00  0.595805D+01  0.533959D+02  0.114973D+02
      3  -0.151334D+02 -0.167859D+02  0.503076D+01  0.130839D+02  0.135237D+02
               531           532           533           534           535 
      1  -0.533343D+00  0.140974D+01 -0.199921D+00  0.192501D+01 -0.668721D+01
      2  -0.244763D+01  0.243596D+01 -0.927065D+00  0.586822D+01  0.202620D+01
      3  -0.486125D+01  0.511067D+01 -0.110324D+02  0.242022D+01 -0.226686D+02
               536           537           538           539           540 
      1   0.126679D+01 -0.260029D+01 -0.711664D+01  0.178613D+01  0.126005D+01
      2   0.124877D+01 -0.400571D+01 -0.165768D+00 -0.418699D+01  0.212118D+01
      3   0.299561D+02 -0.266750D+01 -0.374183D+02 -0.291960D+01  0.432488D+01
               541           542           543           544           545 
      1   0.380819D+01  0.104003D+01 -0.368143D+01 -0.151633D+01  0.262830D+01
      2  -0.133565D+02 -0.240328D+01  0.316621D+01  0.600566D+01 -0.154335D+01
      3   0.139512D+02 -0.588941D+01 -0.128448D+01 -0.250418D+02 -0.113502D+02
               546           547           548           549           550 
      1  -0.353585D+01 -0.390817D+01 -0.202015D+01 -0.153683D+01  0.691866D+01
      2   0.298369D+01  0.813316D+01  0.389321D+01  0.156053D+01 -0.129845D+02
      3   0.106412D+01 -0.908256D+01  0.168365D+01 -0.170049D+01 -0.107944D+02
               551           552           553           554           555 
      1  -0.516871D+01  0.757597D+01 -0.498269D+01  0.737906D+01 -0.545762D+01
      2   0.279667D+00 -0.295645D+01  0.404003D+00 -0.348223D+01  0.151518D+01
      3   0.197407D+02 -0.835188D+01  0.368903D+01 -0.196081D+02  0.713572D+01
               556           557           558           559           560 
      1   0.620830D+01 -0.549261D+01  0.667105D+01 -0.458180D+01  0.741411D+00
      2  -0.122213D+02  0.393695D+01 -0.295145D+01  0.147076D+02 -0.136508D+01
      3  -0.792790D+01  0.145909D+02 -0.104560D+02 -0.124422D+01  0.716932D+01
               561           562           563           564           565 
      1   0.791699D+01 -0.785246D+00 -0.269682D+01 -0.197781D+00  0.224447D+01
      2  -0.740617D+01  0.213143D+01  0.234697D+01  0.101490D+01 -0.501643D+01
      3   0.662650D+01  0.164940D+01 -0.589830D+00 -0.281288D+01 -0.120768D+01
               566           567 
      1  -0.201648D+01 -0.233760D+02
      2   0.667341D+01  0.204918D+02
      3  -0.974304D+01 -0.146728D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112928D+03 -0.140367D+02  0.304477D+02 -0.160850D+02  0.270413D+02
      2   0.669726D+02  0.167062D+02 -0.107976D+02  0.876444D+01 -0.166557D+02
      3   0.459555D+02 -0.266951D+01 -0.196501D+02  0.732061D+01 -0.103856D+02
      4  -0.170726D+02  0.131349D+02  0.646878D+01  0.238126D+02 -0.963402D+01
      5   0.482835D+02  0.868081D+01  0.114317D+02 -0.216042D+01 -0.844160D+00
      6   0.468587D+00 -0.471179D+01 -0.213259D+01 -0.365011D+01  0.266707D+01
                 6             7             8             9            10 
      1   0.107730D+02  0.124603D+01  0.574849D+01  0.242048D+02 -0.204773D+02
      2   0.426396D+01  0.602093D+01  0.694205D+01 -0.810361D+01  0.152597D+02
      3  -0.150369D+02 -0.726696D+01 -0.126905D+02 -0.161012D+02  0.521753D+01
      4   0.410875D+01 -0.103372D+02 -0.334374D+01  0.317583D+02  0.118845D+02
      5   0.325624D+02  0.274255D+02  0.328944D+02 -0.201922D+01 -0.800373D+01
      6  -0.923762D-01  0.313687D+01  0.252384D+01 -0.112190D+02 -0.219001D+01
                11            12            13            14            15 
      1   0.672024D+01 -0.663395D+01  0.177689D+02 -0.420071D+02  0.100019D+02
      2   0.496785D+00  0.349200D+01 -0.927008D+00  0.243156D+02 -0.813220D+01
      3  -0.721702D+01  0.314195D+01 -0.168419D+02  0.176915D+02 -0.186970D+01
      4  -0.319702D+02  0.773021D+01 -0.674282D+02  0.366788D+01 -0.219792D+02
      5   0.116145D+02 -0.197345D+02  0.212892D+02 -0.190976D+02 -0.432291D+02
      6   0.282385D+01 -0.192383D+01  0.953162D+00 -0.736179D+00 -0.800318D+01
                16            17            18            19            20 
      1  -0.129784D+02  0.851706D+01 -0.332241D+02  0.104543D+03  0.571386D+02
      2   0.155034D+01 -0.814618D+01  0.229469D+02 -0.517855D+02 -0.447483D+02
      3   0.114280D+02 -0.370882D+00  0.102772D+02 -0.527571D+02 -0.123902D+02
      4   0.145260D+02 -0.127333D+02 -0.286873D+02  0.538919D+02  0.819036D+02
      5  -0.584044D+02 -0.331208D+02  0.420447D+01  0.101009D+01  0.234573D+01
      6  -0.725862D+01 -0.609611D+01  0.527258D+00  0.244766D+02 -0.504149D+01
                21            22            23            24            25 
      1   0.453160D-01  0.687210D+02  0.338871D+02 -0.210903D+01 -0.883642D+01
      2  -0.103923D+00 -0.385377D+02 -0.124117D+02  0.216192D+01  0.789954D+01
      3   0.586071D-01 -0.301833D+02 -0.214754D+02 -0.528892D-01  0.936886D+00
      4   0.691535D+01  0.538596D+02  0.729272D+02  0.123199D+02 -0.682687D+01
      5   0.148499D+02 -0.358355D+00  0.102016D+02  0.135240D+02  0.570431D+02
      6  -0.399005D+00  0.457917D+01  0.222110D+01  0.642967D+01  0.122978D+02
                26            27            28            29            30 
      1   0.295782D+01  0.177200D+02 -0.950862D+02  0.106508D+02  0.386470D+01
      2  -0.156908D+01 -0.187267D+02  0.743942D+01 -0.161556D+02 -0.487234D+01
      3  -0.138874D+01  0.100668D+01  0.876468D+02  0.550481D+01  0.100764D+01
      4   0.103460D+02  0.103883D+02 -0.120015D+03  0.193682D+02 -0.151306D-01
      5   0.163013D+02  0.643679D+01 -0.263107D+02 -0.777897D+01 -0.148861D+02
      6   0.841578D+01  0.903630D+00 -0.816115D+02 -0.108831D+02 -0.233990D+01
                31            32            33            34            35 
      1  -0.784788D+02  0.335512D+02 -0.444774D+01 -0.280472D+02 -0.713458D+01
      2   0.270454D+02 -0.404808D+02  0.441598D+01  0.113298D+02 -0.752071D+00
      3   0.514333D+02  0.692958D+01  0.317580D-01  0.167173D+02  0.788665D+01
      4  -0.415504D+02  0.262817D+02  0.427345D+01 -0.182027D+02  0.549939D+00
      5  -0.250414D+02 -0.534741D+01  0.371879D+01  0.350128D+02  0.190568D+02
      6   0.503975D+01 -0.139538D+02 -0.596869D+01  0.193161D+02  0.389004D+01
                36            37            38            39            40 
      1   0.564449D+01  0.343063D+01  0.138503D+02 -0.139195D+02  0.129650D+03
      2  -0.129039D+02  0.404247D+02  0.295296D+01  0.131951D+02 -0.526113D+02
      3   0.725936D+01 -0.438553D+02 -0.168033D+02  0.724411D+00 -0.770387D+02
      4   0.158227D+02  0.652605D+02  0.158942D+02  0.131578D+02  0.104084D+03
      5   0.691583D+01  0.276892D+01  0.226879D+02 -0.279456D+02  0.573712D+02
      6  -0.376228D+01  0.336906D+02  0.102818D+02 -0.679108D+01  0.246375D+02
                41            42            43            44            45 
      1   0.192836D+02  0.290377D+02 -0.492724D+01  0.283001D+02 -0.455391D+02
      2  -0.241863D+01 -0.229739D+02  0.505643D+01 -0.244481D+02  0.323242D+02
      3  -0.168649D+02 -0.606380D+01 -0.129189D+00 -0.385206D+01  0.132149D+02
      4   0.113879D+02 -0.110573D+02  0.314176D+02  0.905579D+01 -0.206475D+02
      5  -0.960480D+01  0.201068D+02 -0.859293D+02 -0.207155D+02  0.187436D+02
      6  -0.108580D+01  0.557707D+01 -0.411885D+02 -0.770780D+01  0.145980D+02
                46            47            48            49            50 
      1  -0.715199D+01 -0.234914D+02  0.264854D+02 -0.486018D+02 -0.405499D+02
      2  -0.103879D+02 -0.571137D+01 -0.515384D+01  0.112341D+02  0.176469D+02
      3   0.175399D+02  0.292027D+02 -0.213316D+02  0.373677D+02  0.229029D+02
      4  -0.488803D+02 -0.522024D+02  0.639800D+01 -0.760435D+02 -0.230181D+02
      5   0.257675D+02  0.667522D+01  0.194126D+02  0.218770D+02  0.289660D+02
      6   0.188876D+02  0.950357D+01  0.150734D+02  0.211397D+02  0.122866D+02
                51            52            53            54            55 
      1  -0.332352D+01 -0.375491D+01 -0.217282D+02  0.427624D+02 -0.201777D+02
      2   0.338847D+01  0.934557D+01  0.136877D+02 -0.281360D+02 -0.115055D+02
      3  -0.649514D-01 -0.559066D+01  0.804055D+01 -0.146264D+02  0.316832D+02
      4   0.222353D+02 -0.228221D+02 -0.767015D+01  0.939890D+01 -0.631517D+02
      5  -0.841348D+01  0.426200D+02  0.495697D+01 -0.244107D+02  0.132185D+02
      6  -0.886187D+01  0.207150D+02 -0.380742D+01 -0.515264D+01 -0.954295D+01
                56            57            58            59            60 
      1  -0.611848D+02  0.114847D+02 -0.125389D+03  0.418090D+01 -0.303455D+02
      2   0.374145D+02 -0.184482D+02  0.679575D+02 -0.118167D+02  0.162058D+02
      3   0.237704D+02  0.696349D+01  0.574313D+02  0.763584D+01  0.141396D+02
      4  -0.753542D+01 -0.142638D+02 -0.169803D+02  0.872368D+01  0.267314D+02
      5  -0.236141D+02  0.421020D+02 -0.541658D+02  0.266315D+02  0.236069D+02
      6  -0.204858D+01  0.389251D+01 -0.101491D+02  0.116941D+01  0.123727D+02
                61            62            63            64            65 
      1   0.610109D+02 -0.188762D+02  0.513912D+02  0.361990D+02  0.611936D+01
      2  -0.416081D+02  0.135228D+02 -0.226165D+02  0.140929D+02  0.949905D-01
      3  -0.194027D+02  0.535340D+01 -0.287747D+02 -0.502918D+02 -0.621435D+01
      4   0.571783D+01  0.307874D+02  0.331075D+02  0.731214D+02 -0.266445D+02
      5   0.688482D+02  0.254931D+02 -0.440201D+00  0.129570D+03  0.724070D+01
      6   0.147167D+02  0.106584D+02  0.452200D+01  0.152852D+03  0.116933D+02
                66            67            68            69            70 
      1   0.560218D+01  0.596639D+02 -0.106908D+02  0.358542D+01 -0.209841D+01
      2  -0.152505D+01 -0.303759D+02  0.168039D+02 -0.171910D+01 -0.449770D+00
      3  -0.407713D+01 -0.292879D+02 -0.611309D+01 -0.186632D+01  0.254818D+01
      4   0.251632D+01  0.139978D+03  0.314653D+02  0.634309D+01  0.215838D+02
      5   0.172172D+02  0.934319D+02  0.127235D+02  0.653527D+01  0.877366D+02
      6   0.470418D+00  0.495723D+02  0.711033D+01  0.823087D+01  0.669427D+02
                71            72            73            74            75 
      1   0.402428D+01 -0.241616D+01 -0.734508D+02  0.820115D+01  0.432747D-02
      2  -0.235267D+01  0.135332D+01 -0.167205D+02 -0.831834D+01 -0.247353D-02
      3  -0.167161D+01  0.106284D+01  0.901713D+02  0.117189D+00 -0.185394D-02
      4  -0.133054D+01  0.459536D+01 -0.273408D+02 -0.207252D+02  0.130588D-02
      5   0.861378D+01  0.143307D+01 -0.231749D+00  0.170182D-01 -0.231163D+02
      6   0.105631D+02  0.215387D+01 -0.657681D-01 -0.126556D-01 -0.502524D+01
                76            77            78            79            80 
      1  -0.116898D+03 -0.996627D+01  0.222475D-01 -0.939112D+00  0.522093D-01
      2   0.560030D+02  0.263454D+01 -0.711575D-02  0.674627D+00 -0.213321D-01
      3   0.608952D+02  0.733173D+01 -0.151317D-01  0.264485D+00 -0.308773D-01
      4  -0.301877D+03  0.326028D+01  0.677154D-01  0.279443D+00 -0.320412D-01
      5   0.372188D+00  0.591537D-01 -0.157993D+01 -0.146403D+03 -0.254428D+01
      6   0.605427D+00  0.284610D-02 -0.440041D+01 -0.859206D+02  0.315980D+00
                81            82            83            84            85 
      1  -0.278841D+02  0.644992D+02 -0.590946D+02 -0.115167D+02  0.606459D+02
      2  -0.323405D+01  0.487112D+01  0.530966D+02  0.762971D+01 -0.382410D+02
      3   0.311182D+02 -0.693703D+02  0.599801D+01  0.388701D+01 -0.224049D+02
      4  -0.947297D+00 -0.322460D+02 -0.925222D+01  0.236612D+01  0.109665D+03
      5   0.428362D-01  0.923653D+02  0.766448D+01  0.202467D+02 -0.619216D+02
      6   0.247062D-01  0.132196D+03  0.740087D+01  0.112986D+02 -0.637380D+02
                86            87            88            89            90 
      1  -0.156778D+02 -0.388777D+01  0.548578D+01  0.248786D+01 -0.996631D+01
      2   0.165083D+02  0.202076D+01 -0.984459D+00 -0.342218D+01  0.598973D+01
      3  -0.830509D+00  0.186701D+01 -0.450132D+01  0.934319D+00  0.397658D+01
      4  -0.396331D+01 -0.413988D+01  0.676369D+01  0.925064D+00 -0.140286D+01
      5  -0.930902D+01 -0.126624D+01  0.270443D+01 -0.280583D+01  0.536841D+00
      6   0.245064D+01  0.596620D+01 -0.153698D+02  0.823606D+01  0.283726D+01
                91            92            93            94            95 
      1  -0.511983D+02  0.154241D+02  0.925623D+01 -0.109647D+03 -0.931987D+02
      2  -0.110612D+02 -0.170097D+02 -0.510422D+01  0.987568D+02  0.686424D+02
      3   0.622595D+02  0.158554D+01 -0.415201D+01  0.108906D+02  0.245562D+02
      4   0.657578D+02 -0.345945D+02 -0.197356D+01 -0.163501D+03 -0.140260D+03
      5  -0.289824D+02 -0.549590D+01 -0.225915D+02 -0.504523D+02 -0.134160D+02
      6  -0.783343D+02 -0.331962D+01 -0.678329D+01 -0.141745D+02 -0.552849D+00
                96            97            98            99           100 
      1  -0.929118D+01 -0.481798D+01 -0.131502D+02 -0.244491D+02 -0.167300D+02
      2   0.757551D+01  0.488178D+01  0.646670D+01  0.122555D+02  0.291778D+02
      3   0.171567D+01 -0.637970D-01  0.668353D+01  0.121936D+02 -0.124478D+02
      4  -0.208271D+02 -0.413311D+02 -0.165582D+02 -0.289504D+02 -0.369958D+02
      5  -0.219480D+02 -0.122251D+02 -0.245607D+02 -0.104916D+02  0.153645D+01
      6  -0.160973D+01 -0.115647D+02  0.126041D+02  0.248191D+01  0.115381D+02
               101           102           103           104           105 
      1  -0.237684D+02 -0.506781D+00  0.254629D+02  0.477255D+02  0.111220D+02
      2   0.163931D+02 -0.211169D+01 -0.639473D+02 -0.402405D+02 -0.659417D+01
      3   0.737526D+01  0.261847D+01  0.384844D+02 -0.748503D+01 -0.452786D+01
      4  -0.371228D+02 -0.483719D+01  0.900099D+02  0.185983D+02  0.134551D+01
      5  -0.225929D+01 -0.156097D+02  0.215372D+02  0.685165D+00 -0.161573D+01
      6  -0.378518D+01  0.997583D+01 -0.194416D+02  0.297827D+01 -0.859420D+01
               106           107           108           109           110 
      1   0.423995D+00 -0.560462D+00 -0.390544D+01  0.208578D+02  0.108536D+02
      2  -0.961286D+01  0.512885D+01 -0.126836D+01 -0.127491D+02 -0.183560D+02
      3   0.918887D+01 -0.456839D+01  0.517381D+01 -0.810872D+01  0.750244D+01
      4   0.274174D+02 -0.126816D+02  0.159181D+02 -0.101191D+02  0.397538D+02
      5  -0.183410D+02  0.124335D+02 -0.815998D+00  0.185848D+02 -0.276865D+01
      6   0.112284D+02 -0.150498D+02  0.167877D+00 -0.113089D+02  0.319781D+01
               111           112           113           114           115 
      1   0.112680D+02  0.224165D+01 -0.183724D+02  0.233595D+01  0.840174D+01
      2  -0.601254D+01 -0.208983D+01  0.306097D+02 -0.712884D+01 -0.876805D+01
      3  -0.525543D+01 -0.151820D+00 -0.122373D+02  0.479288D+01  0.366305D+00
      4  -0.779238D+01  0.614668D+01 -0.391655D+02  0.903591D+01 -0.917211D+01
      5   0.121571D+02 -0.103526D+02  0.809633D+01 -0.597161D+01  0.243723D+02
      6  -0.838325D+01  0.462554D+01 -0.117641D+02  0.108356D+02 -0.158636D+02
               116           117           118           119           120 
      1   0.178796D+02  0.253813D+00  0.367637D+01 -0.315068D+02  0.658093D+01
      2  -0.228068D+02  0.940532D+00 -0.359397D+02  0.509448D+01 -0.205365D+02
      3   0.492712D+01 -0.119434D+01  0.322634D+02  0.264123D+02  0.139556D+02
      4   0.357694D+02 -0.179106D+02 -0.538190D+02 -0.439369D+02 -0.832533D+01
      5  -0.138317D+02  0.291915D+02 -0.472785D+01 -0.164873D+02  0.211981D+02
      6   0.196494D+02 -0.275426D+02 -0.657035D+01 -0.154621D+02  0.175677D+02
               121           122           123           124           125 
      1  -0.257267D+02 -0.194665D+02 -0.218496D+02  0.770798D+01 -0.208800D+02
      2   0.307890D+01  0.530037D+01  0.215545D+02 -0.156090D+02  0.270277D+02
      3   0.226478D+02  0.141662D+02  0.295078D+00  0.790106D+01 -0.614771D+01
      4  -0.463053D+02 -0.147283D+02  0.160445D+01 -0.951989D+01  0.158186D+01
      5  -0.169727D+02  0.738129D+01 -0.513470D+01  0.193909D+02 -0.370876D+01
      6  -0.123062D+02  0.136464D+02 -0.100498D+01  0.164842D+02 -0.496274D+01
               126           127           128           129           130 
      1   0.332600D+02  0.652732D+01  0.604743D+02 -0.776948D+01  0.124599D+03
      2  -0.111619D+02  0.100491D+02 -0.368779D+02  0.131524D+02 -0.751012D+02
      3  -0.220981D+02 -0.165764D+02 -0.235964D+02 -0.538293D+01 -0.494978D+02
      4   0.115604D+02  0.648574D+02 -0.753592D-01  0.222307D+02 -0.167365D+02
      5  -0.183217D+02 -0.111461D+02  0.270251D+02 -0.314885D+02  0.471065D+02
      6  -0.234889D+02  0.102738D+02  0.844002D+00 -0.250160D+01 -0.206610D+01
               131           132           133           134           135 
      1  -0.132324D+02  0.421637D+02 -0.214036D+02  0.290745D+02 -0.418174D+02
      2   0.807741D+01 -0.253998D+02  0.190488D+02 -0.175379D+02  0.100651D+02
      3   0.515501D+01 -0.167638D+02  0.235475D+01 -0.115366D+02  0.317523D+02
      4  -0.223517D+02 -0.337845D+02  0.968933D+01 -0.334020D+02 -0.423666D+02
      5  -0.366321D+02 -0.267762D+02 -0.532462D+02 -0.339028D+02  0.111978D+02
      6  -0.125693D+02 -0.184415D+02 -0.119081D+02 -0.182264D+02 -0.320380D+01
               136           137           138           139           140 
      1   0.362444D+02  0.355995D+02 -0.734452D+01  0.490151D+02  0.479292D+00
      2  -0.874844D+01 -0.257459D+02  0.126030D+02 -0.326441D+02  0.137140D+02
      3  -0.274960D+02 -0.985361D+01 -0.525852D+01 -0.163710D+02 -0.141933D+02
      4   0.410998D+02 -0.490886D+01  0.183509D+02 -0.182425D+02 -0.656492D+01
      5  -0.733090D+00  0.315861D+02 -0.286185D+02  0.330745D+02 -0.409617D+02
      6   0.164853D+02 -0.511694D+01  0.564610D+01 -0.152598D+02 -0.919507D+01
               141           142           143           144           145 
      1   0.316835D+02 -0.627759D+01  0.250326D+02 -0.265310D+02  0.375840D+02
      2  -0.115886D+02  0.148781D+02 -0.686838D+01  0.516123D+01  0.137591D+02
      3  -0.200949D+02 -0.860047D+01 -0.181642D+02  0.213698D+02 -0.513431D+02
      4  -0.372541D+02  0.124691D+02 -0.252096D+02 -0.196609D+02  0.741888D+02
      5  -0.104035D+02 -0.318705D+02 -0.126948D+02 -0.170668D+01 -0.129635D+03
      6  -0.298207D+02  0.132786D+01 -0.203104D+02 -0.107197D+02 -0.152639D+03
               146           147           148           149           150 
      1   0.564868D+01 -0.563978D+01  0.608533D+02 -0.108939D+02 -0.358336D+01
      2   0.358836D+00  0.151827D+01 -0.308643D+02  0.168950D+02  0.171611D+01
      3  -0.600751D+01  0.412151D+01 -0.299891D+02 -0.600114D+01  0.186725D+01
      4  -0.266139D+02 -0.252490D+01  0.140729D+03  0.313934D+02 -0.640225D+01
      5  -0.731048D+01  0.172402D+02 -0.938118D+02 -0.127525D+02  0.656037D+01
      6  -0.117188D+02  0.534625D+00 -0.502867D+02 -0.716914D+01  0.826801D+01
               151           152           153           154           155 
      1   0.262077D+01 -0.400073D+01 -0.242088D+01 -0.952013D+02  0.107927D+02
      2   0.616745D-01  0.235047D+01  0.134979D+01  0.728794D+01 -0.162449D+02
      3  -0.268245D+01  0.165027D+01  0.107109D+01  0.879133D+02  0.545224D+01
      4  -0.219852D+02  0.131669D+01  0.460961D+01 -0.120221D+03  0.193122D+02
      5   0.879445D+02  0.863778D+01 -0.146539D+01  0.266007D+02  0.781970D+01
      6   0.671944D+02  0.105725D+02 -0.220544D+01  0.819590D+02  0.109025D+02
               156           157           158           159           160 
      1  -0.381712D+01 -0.783406D+02  0.333264D+02  0.449600D+01  0.278787D+02
      2   0.487544D+01  0.270800D+02 -0.403734D+02 -0.444703D+01 -0.112596D+02
      3  -0.105832D+01  0.512606D+02  0.704705D+01 -0.489723D-01 -0.166191D+02
      4   0.469037D-01 -0.414537D+02  0.264032D+02 -0.422354D+01  0.183731D+02
      5  -0.148941D+02  0.251820D+02  0.531882D+01  0.372347D+01  0.350401D+02
      6  -0.235235D+01 -0.462473D+01  0.139479D+02 -0.595251D+01  0.193327D+02
               161           162           163           164           165 
      1   0.716747D+01  0.562899D+01  0.347406D+01  0.138645D+02  0.139685D+02
      2   0.745051D+00 -0.128906D+02  0.404365D+02  0.295475D+01 -0.132193D+02
      3  -0.791252D+01  0.726164D+01 -0.439105D+02 -0.168192D+02 -0.749168D+00
      4  -0.555165D+00  0.158496D+02  0.654351D+02  0.159063D+02 -0.131428D+02
      5   0.190977D+02 -0.695378D+01 -0.267571D+01 -0.226596D+02 -0.278713D+02
      6   0.391089D+01  0.375747D+01 -0.337008D+02 -0.102810D+02 -0.675654D+01
               166           167           168           169           170 
      1   0.129606D+03  0.192625D+02 -0.290326D+02  0.474285D+01 -0.282719D+02
      2  -0.525102D+02 -0.238307D+01  0.229474D+02 -0.491197D+01  0.244385D+02
      3  -0.770955D+02 -0.168794D+02  0.608519D+01  0.169123D+00  0.383338D+01
      4   0.104179D+03  0.113796D+02  0.110146D+02 -0.315465D+02 -0.914082D+01
      5  -0.574045D+02  0.957402D+01  0.200031D+02 -0.858156D+02 -0.207750D+02
      6  -0.247851D+02  0.107069D+01  0.555264D+01 -0.412118D+02 -0.776557D+01
               171           172           173           174           175 
      1  -0.453932D+02 -0.199199D+02 -0.612550D+02 -0.116557D+02 -0.125370D+03
      2   0.322066D+02 -0.116815D+02  0.374302D+02  0.184924D+02  0.678994D+02
      3   0.131866D+02  0.316014D+02  0.238248D+02 -0.683678D+01  0.574711D+02
      4  -0.207026D+02 -0.631497D+02 -0.755371D+01  0.141771D+02 -0.169474D+02
      5  -0.188764D+02 -0.134076D+02  0.235365D+02  0.420391D+02  0.539824D+02
      6  -0.146580D+02  0.952977D+01  0.202680D+01  0.389140D+01  0.101405D+02
               176           177           178           179           180 
      1   0.415887D+01  0.302076D+02 -0.611172D+02  0.187917D+02  0.512738D+02
      2  -0.117868D+02 -0.160897D+02  0.415906D+02 -0.134547D+02 -0.224829D+02
      3   0.762797D+01 -0.141179D+02  0.195267D+02 -0.533702D+01 -0.287909D+02
      4   0.873390D+01 -0.267004D+02 -0.581213D+01 -0.307611D+02  0.331909D+02
      5  -0.265938D+02  0.237692D+02  0.687014D+02  0.255887D+02  0.626855D+00
      6  -0.115403D+01  0.123856D+02  0.147229D+02  0.106678D+02 -0.449918D+01
               181           182           183           184           185 
      1  -0.204605D+02  0.683467D+01  0.671446D+01  0.179234D+02 -0.420010D+02
      2   0.152313D+02  0.433892D+00 -0.353912D+01 -0.102329D+01  0.243213D+02
      3   0.522921D+01 -0.726856D+01 -0.317534D+01 -0.169001D+02  0.176798D+02
      4   0.120091D+02 -0.319792D+02 -0.769288D+01 -0.674487D+02  0.358788D+01
      5   0.811094D+01 -0.115780D+02 -0.196746D+02 -0.211917D+02  0.189966D+02
      6   0.220477D+01 -0.282430D+01 -0.192034D+01 -0.934907D+00  0.740777D+00
               186           187           188           189           190 
      1  -0.992308D+01  0.131470D+02 -0.850279D+01 -0.331716D+02  0.104152D+03
      2   0.810470D+01 -0.163772D+01  0.816857D+01  0.229200D+02 -0.515351D+02
      3   0.181838D+01 -0.115093D+02  0.334218D+00  0.102516D+02 -0.526167D+02
      4   0.219014D+02 -0.145268D+02  0.126282D+02 -0.287285D+02  0.537907D+02
      5  -0.432754D+02 -0.583426D+02 -0.331707D+02 -0.428244D+01 -0.105618D+01
      6  -0.800978D+01 -0.725021D+01 -0.609684D+01 -0.553270D+00 -0.245231D+02
               191           192           193           194           195 
      1   0.570233D+02 -0.488417D-01  0.683944D+02  0.339407D+02  0.210239D+01
      2  -0.446963D+02  0.108476D+00 -0.384376D+02 -0.124518D+02 -0.215695D+01
      3  -0.123269D+02 -0.596344D-01 -0.299568D+02 -0.214889D+02  0.545577D-01
      4   0.819630D+02 -0.689841D+01  0.538528D+02  0.730056D+02 -0.123254D+02
      5  -0.232982D+01  0.148547D+02  0.465870D+00 -0.101255D+02  0.135339D+02
      6   0.502191D+01 -0.392778D+00 -0.466674D+01 -0.221764D+01  0.643753D+01
               196           197           198           199           200 
      1   0.901000D+01 -0.287062D+01  0.177278D+02 -0.112748D+03 -0.141322D+02
      2  -0.796051D+01  0.149111D+01 -0.187281D+02  0.669263D+02  0.167954D+02
      3  -0.104949D+01  0.137950D+01  0.100024D+01  0.458214D+02 -0.266317D+01
      4   0.696452D+01 -0.102216D+02  0.103899D+02 -0.172343D+02  0.130836D+02
      5   0.570819D+02  0.163083D+02 -0.644319D+01 -0.485073D+02 -0.877231D+01
      6   0.122718D+02  0.843284D+01 -0.903177D+00 -0.500645D+00  0.471216D+01
               201           202           203           204           205 
      1  -0.306172D+02 -0.162080D+02  0.270176D+02 -0.108680D+02 -0.153300D+01
      2   0.108948D+02  0.886818D+01 -0.166523D+02 -0.421634D+01 -0.586197D+01
      3   0.197224D+02  0.733985D+01 -0.103653D+02  0.150844D+02  0.739497D+01
      4  -0.654130D+01  0.238150D+02 -0.958245D+01 -0.406139D+01  0.102711D+02
      5   0.113147D+02  0.206696D+01  0.906566D+00  0.325290D+02  0.273051D+02
      6  -0.215079D+01  0.365497D+01 -0.265935D+01 -0.698906D-01  0.311839D+01
               206           207           208           209           210 
      1  -0.583280D+01  0.241175D+02 -0.712894D+01 -0.234414D+02 -0.265258D+02
      2  -0.689626D+01 -0.806999D+01 -0.103732D+02 -0.574823D+01  0.520021D+01
      3   0.127291D+02 -0.160475D+02  0.175021D+02  0.291896D+02  0.213256D+02
      4   0.339727D+01  0.317446D+02 -0.489145D+02 -0.522419D+02 -0.644448D+01
      5   0.328678D+02  0.207761D+01 -0.258263D+02 -0.669783D+01  0.193068D+02
      6   0.254252D+01  0.112255D+02 -0.189255D+02 -0.952950D+01  0.150416D+02
               211           212           213           214           215 
      1  -0.485991D+02 -0.405084D+02  0.334434D+01  0.363994D+01  0.216942D+02
      2   0.112064D+02  0.176001D+02 -0.342707D+01 -0.928791D+01 -0.137107D+02
      3   0.373927D+02  0.229084D+02  0.827284D-01  0.564797D+01 -0.798352D+01
      4  -0.761377D+02 -0.231233D+02 -0.222778D+02  0.227629D+02  0.763033D+01
      5  -0.218946D+02 -0.290076D+02 -0.836721D+01  0.424996D+02  0.499320D+01
      6  -0.211623D+02 -0.123426D+02 -0.886104D+01  0.206843D+02 -0.379785D+01
               216           217           218           219           220 
      1   0.426159D+02  0.363167D+02  0.357217D+02  0.746215D+01  0.491342D+02
      2  -0.280895D+02 -0.875442D+01 -0.257569D+02 -0.125964D+02 -0.326303D+02
      3  -0.145263D+02 -0.275623D+02 -0.996486D+01  0.513421D+01 -0.165039D+02
      4   0.943368D+01  0.411517D+02 -0.501454D+01 -0.182343D+02 -0.184074D+02
      5   0.245101D+02  0.816620D+00 -0.314993D+02 -0.285847D+02 -0.329375D+02
      6   0.523713D+01 -0.164582D+02  0.520283D+01  0.557734D+01  0.153631D+02
               221           222           223           224           225 
      1   0.282619D+00 -0.315984D+02  0.642600D+01 -0.249478D+02 -0.264610D+02
      2   0.138242D+02  0.114556D+02 -0.148903D+02  0.675595D+01  0.509826D+01
      3  -0.141068D+02  0.201428D+02  0.846433D+01  0.181918D+02  0.213628D+02
      4  -0.647866D+01  0.372949D+02 -0.123287D+02  0.252184D+02 -0.198061D+02
      5   0.410486D+02 -0.106303D+02 -0.318435D+02 -0.128899D+02  0.160892D+01
      6   0.913098D+01 -0.298227D+02  0.125622D+01 -0.203119D+02  0.107897D+02
               226           227           228           229           230 
      1   0.624659D+01  0.606053D+02  0.796096D+01  0.124756D+03 -0.132212D+02
      2   0.102501D+02 -0.369208D+02 -0.132074D+02 -0.751454D+02  0.804438D+01
      3  -0.164967D+02 -0.236845D+02  0.524648D+01 -0.496107D+02  0.517680D+01
      4   0.649426D+02 -0.340784D-01 -0.221095D+02 -0.166773D+02 -0.223580D+02
      5   0.113486D+02 -0.269276D+02 -0.314105D+02 -0.469322D+02  0.365437D+02
      6  -0.102172D+02 -0.834617D+00 -0.251546D+01  0.205021D+01  0.125560D+02
               231           232           233           234           235 
      1  -0.420213D+02  0.215414D+02 -0.289472D+02 -0.416632D+02  0.382758D+01
      2   0.252977D+02 -0.190572D+02  0.174578D+02  0.993604D+01 -0.360579D+02
      3   0.167236D+02 -0.248422D+01  0.114894D+02  0.317271D+02  0.322304D+02
      4   0.336996D+02 -0.954361D+01  0.333554D+02 -0.424953D+02 -0.537160D+02
      5  -0.269499D+02 -0.531190D+02 -0.340547D+02 -0.113412D+02  0.465281D+01
      6  -0.184394D+02 -0.119422D+02 -0.182424D+02  0.318827D+01  0.652243D+01
               236           237           238           239           240 
      1  -0.314639D+02 -0.664173D+01 -0.257226D+02 -0.194683D+02  0.218321D+02
      2   0.505234D+01  0.205557D+02  0.303203D+01  0.524805D+01 -0.215152D+02
      3   0.264116D+02 -0.139140D+02  0.226906D+02  0.142203D+02 -0.316889D+00
      4  -0.439669D+02  0.825147D+01 -0.463798D+02 -0.147899D+02 -0.159638D+01
      5   0.164708D+02  0.211587D+02  0.169858D+02 -0.735967D+01 -0.507047D+01
      6   0.154453D+02  0.175042D+02  0.123149D+02 -0.136265D+02 -0.929898D+00
               241           242           243           244           245 
      1  -0.777389D+01  0.208304D+02  0.331797D+02 -0.506645D+02  0.156559D+02
      2   0.156166D+02 -0.269907D+02 -0.110079D+02 -0.112745D+02 -0.171839D+02
      3  -0.784275D+01  0.616031D+01 -0.221718D+02  0.619390D+02  0.152796D+01
      4   0.943726D+01 -0.158583D+01  0.115764D+02  0.655937D+02 -0.346102D+02
      5   0.193581D+02 -0.365651D+01  0.184228D+02  0.289338D+02  0.544644D+01
      6   0.164389D+02 -0.487716D+01  0.235714D+02  0.783433D+02  0.334026D+01
               246           247           248           249           250 
      1  -0.923708D+01 -0.109439D+03 -0.930099D+02  0.928138D+01  0.455162D+01
      2   0.510187D+01  0.985612D+02  0.685569D+02 -0.757611D+01 -0.471822D+01
      3   0.413522D+01  0.108781D+02  0.244530D+02 -0.170528D+01  0.166598D+00
      4   0.195827D+01 -0.163397D+03 -0.140406D+03  0.208435D+02  0.414385D+02
      5  -0.225924D+02  0.503995D+02  0.133963D+02 -0.219706D+02 -0.122123D+02
      6  -0.680862D+01  0.145124D+02  0.563190D+00 -0.163107D+01 -0.116652D+02
               251           252           253           254           255 
      1   0.131776D+02 -0.244296D+02 -0.165900D+02 -0.237866D+02  0.507587D+00
      2  -0.648191D+01  0.122519D+02  0.290981D+02  0.164115D+02  0.211147D+01
      3  -0.669567D+01  0.121778D+02 -0.125081D+02  0.737507D+01 -0.261906D+01
      4   0.165671D+02 -0.289603D+02 -0.368642D+02 -0.371585D+02  0.483064D+01
      5  -0.245700D+02  0.104874D+02 -0.155093D+01  0.225129D+01 -0.156127D+02
      6   0.125982D+02 -0.246474D+01 -0.115821D+02  0.379436D+01  0.998693D+01
               256           257           258           259           260 
      1   0.253462D+02  0.477265D+02 -0.111192D+02 -0.507585D+00  0.491325D+00
      2  -0.638251D+02 -0.402591D+02  0.660037D+01  0.966857D+01 -0.508503D+01
      3   0.384790D+02 -0.746736D+01  0.451884D+01 -0.916099D+01  0.459371D+01
      4   0.898305D+02  0.186277D+02 -0.134783D+01 -0.274084D+02  0.126445D+02
      5  -0.215180D+02 -0.682357D+00 -0.162013D+01 -0.183657D+02  0.124383D+02
      6   0.194151D+02 -0.296558D+01 -0.859163D+01  0.112462D+02 -0.150428D+02
               261           262           263           264           265 
      1  -0.391674D+01  0.208843D+02  0.108447D+02 -0.112752D+02  0.220686D+01
      2  -0.125654D+01 -0.127541D+02 -0.183653D+02  0.601616D+01 -0.208221D+01
      3   0.517328D+01 -0.813015D+01  0.752064D+01  0.525902D+01 -0.124652D+00
      4   0.159281D+02 -0.101728D+02  0.398040D+02  0.779836D+01  0.618245D+01
      5   0.797188D+00 -0.185839D+02  0.277329D+01  0.121668D+02  0.103383D+02
      6  -0.153645D+00  0.113105D+02 -0.320389D+01 -0.839175D+01 -0.462438D+01
               266           267           268           269           270 
      1  -0.183570D+02 -0.233680D+01 -0.841703D+01 -0.178457D+02  0.268530D+00
      2   0.306046D+02  0.712853D+01  0.876630D+01  0.227876D+02  0.933666D+00
      3  -0.122476D+02 -0.479173D+01 -0.349275D+00 -0.494197D+01 -0.120220D+01
      4  -0.391922D+02 -0.904048D+01  0.918869D+01 -0.357787D+02 -0.179218D+02
      5  -0.810154D+01 -0.597287D+01  0.243685D+02 -0.138405D+02 -0.291948D+02
      6   0.117612D+02  0.108351D+02 -0.158696D+02  0.196478D+02  0.275333D+02
               271           272           273           274           275 
      1   0.649028D+02 -0.594921D+02  0.114562D+02  0.599504D+02 -0.154848D+02
      2   0.459013D+01  0.533687D+02 -0.760836D+01 -0.377734D+02  0.164049D+02
      3  -0.694930D+02  0.612338D+01 -0.384785D+01 -0.221770D+02 -0.920133D+00
      4  -0.313830D+02 -0.923086D+01 -0.237019D+01  0.108631D+03 -0.394976D+01
      5  -0.923257D+02 -0.760779D+01  0.202802D+02  0.618093D+02  0.927202D+01
      6  -0.132638D+03 -0.738133D+01  0.113648D+02  0.632743D+02 -0.240205D+01
               276           277           278           279           280 
      1   0.386079D+01 -0.455280D+01 -0.261166D+01 -0.996521D+01  0.358688D+02
      2  -0.200707D+01  0.398786D+00  0.347019D+01  0.599624D+01 -0.287381D+02
      3  -0.185372D+01  0.415401D+01 -0.858524D+00  0.396896D+01 -0.713075D+01
      4   0.410294D+01 -0.686677D+01 -0.905097D+00 -0.140136D+01 -0.176525D+02
      5  -0.127787D+01  0.280904D+01 -0.278861D+01 -0.538759D+00  0.159886D+02
      6   0.592724D+01 -0.151834D+02  0.824304D+01 -0.282365D+01 -0.141648D+02
               281           282           283           284           285 
      1   0.158374D+02  0.730336D+01  0.241167D+01 -0.515249D+01  0.579635D+01
      2  -0.200103D+02 -0.487380D+01 -0.334588D+01  0.103602D+02 -0.775233D+01
      3   0.417293D+01 -0.242956D+01  0.934209D+00 -0.520772D+01  0.195599D+01
      4   0.396085D+02 -0.172185D+02  0.144040D+02 -0.195842D+02  0.104216D+02
      5  -0.106122D+02  0.200872D+02  0.163563D+01  0.105101D+02 -0.211969D+01
      6   0.774185D+01 -0.111841D+02  0.570508D+01 -0.897080D+01  0.776495D+01
               286           287           288           289           290 
      1   0.112810D+02  0.115077D+02  0.419793D+00 -0.171650D+02 -0.227957D+02
      2  -0.175184D+02 -0.102688D+02 -0.869498D+01  0.208898D+02  0.240452D+02
      3   0.623744D+01 -0.123893D+01  0.827519D+01 -0.372475D+01 -0.124951D+01
      4  -0.104653D+02  0.223660D+02 -0.190036D+02  0.141079D+01  0.970438D+01
      5   0.201509D+02 -0.135280D+02  0.328838D+02 -0.131781D+01 -0.124422D+01
      6  -0.176094D+02  0.146778D+02 -0.255314D+02 -0.681729D+01 -0.511341D+01
               291           292           293           294           295 
      1   0.584478D+01 -0.561409D+01 -0.489819D+02  0.890817D+01  0.142792D+01
      2  -0.373501D+01  0.172839D+02  0.644639D+02 -0.828657D+01 -0.280988D+01
      3  -0.210977D+01 -0.116698D+02 -0.154820D+02 -0.621605D+00  0.138196D+01
      4  -0.203892D+01  0.742042D+00 -0.176654D+02  0.356060D+01  0.172626D+00
      5  -0.656898D-01  0.750291D+00  0.313803D+01 -0.283048D+01  0.443751D+00
      6   0.717523D+01 -0.427917D+01 -0.122357D+02  0.138182D+02  0.384209D+01
               296           297           298           299           300 
      1   0.805051D+01 -0.152930D+02 -0.171474D+02 -0.227839D+02 -0.584841D+01
      2  -0.588851D+01  0.123287D+02  0.208881D+02  0.240341D+02  0.373694D+01
      3  -0.216200D+01  0.296429D+01 -0.374074D+01 -0.125025D+01  0.211147D+01
      4   0.283128D+00 -0.241214D+01  0.140922D+01  0.970291D+01  0.203943D+01
      5  -0.640081D+01  0.323289D+01  0.132244D+01  0.124264D+01 -0.642066D-01
      6   0.172115D+02 -0.988353D+01  0.682973D+01  0.511448D+01  0.717834D+01
               301           302           303           304           305 
      1  -0.561166D+01 -0.489570D+02 -0.891415D+01 -0.142503D+01 -0.804963D+01
      2   0.172926D+02  0.644242D+02  0.828986D+01  0.281074D+01  0.588741D+01
      3  -0.116810D+02 -0.154673D+02  0.624287D+00 -0.138570D+01  0.216222D+01
      4   0.716687D+00 -0.176398D+02 -0.355955D+01 -0.177047D+00 -0.279842D+00
      5  -0.757400D+00 -0.313891D+01 -0.282740D+01  0.444110D+00 -0.639532D+01
      6   0.427569D+01  0.122354D+02  0.138153D+02  0.384813D+01  0.172083D+02
               306           307           308           309           310 
      1  -0.152936D+02  0.359092D+02  0.158641D+02 -0.729526D+01  0.239723D+01
      2   0.123248D+02 -0.287624D+02 -0.200260D+02  0.486694D+01 -0.333430D+01
      3   0.296880D+01 -0.714672D+01  0.416191D+01  0.242832D+01  0.937070D+00
      4  -0.240677D+01 -0.176557D+02  0.396174D+02  0.172254D+02  0.144264D+02
      5  -0.323265D+01 -0.159804D+02  0.106193D+02  0.200847D+02 -0.162914D+01
      6   0.988877D+01  0.141688D+02 -0.774780D+01 -0.111885D+02 -0.571156D+01
               311           312           313           314           315 
      1  -0.517731D+01 -0.579377D+01 -0.112763D+02 -0.115154D+02  0.416566D+00
      2   0.103878D+02  0.774916D+01  0.175064D+02  0.102699D+02 -0.868457D+01
      3  -0.521046D+01 -0.195540D+01 -0.623011D+01  0.124553D+01  0.826800D+01
      4  -0.196123D+02 -0.104283D+02  0.104816D+02 -0.223530D+02 -0.190076D+02
      5  -0.105140D+02 -0.212936D+01  0.201430D+02 -0.135312D+02 -0.328623D+02
      6   0.897379D+01  0.777246D+01 -0.176061D+02  0.146819D+02  0.255255D+02
               316           317           318           319           320 
      1   0.465414D+02  0.263942D+02  0.938087D+01  0.320620D+02  0.198387D+02
      2  -0.150889D+02 -0.991541D+00 -0.381855D+01 -0.751338D+00  0.125430D+02
      3  -0.314525D+02 -0.254027D+02 -0.556232D+01 -0.313107D+02 -0.323817D+02
      4   0.577193D+02  0.540773D+02  0.148040D+02  0.690134D+02  0.748339D+02
      5   0.255164D+02  0.174104D+02  0.166633D+02  0.270580D+02  0.270761D+02
      6   0.155503D+02  0.142481D+02  0.793152D+01  0.213524D+02  0.240110D+02
               321           322           323           324           325 
      1   0.409726D+01 -0.587754D+01 -0.280265D+01  0.452182D+00 -0.193986D+02
      2   0.726421D+00  0.131552D+01 -0.142247D+00  0.126525D+01  0.969806D+01
      3  -0.482368D+01  0.456202D+01  0.294489D+01 -0.171743D+01  0.970057D+01
      4   0.229386D+02 -0.709467D+00  0.772229D+01  0.120566D+02  0.284686D+01
      5   0.182146D+02  0.869295D+01  0.117480D+02  0.717898D+01  0.450514D+01
      6   0.141597D+02  0.430456D+01  0.914550D+01  0.619633D+01  0.807249D+01
               326           327           328           329           330 
      1   0.187656D+02  0.304922D+02  0.696131D+01 -0.949686D+01 -0.109334D+02
      2  -0.925575D+01 -0.764827D+01 -0.254432D+01  0.648435D+01  0.732353D+01
      3  -0.950988D+01 -0.228439D+02 -0.441698D+01  0.301251D+01  0.360990D+01
      4  -0.317455D+00 -0.196909D+01  0.698104D+01  0.988768D+01  0.886907D+01
      5  -0.547706D+01 -0.182849D+02  0.750337D+00  0.956354D+01  0.683750D+01
      6  -0.914607D+01 -0.176279D+02 -0.326921D+00  0.106411D+02  0.114242D+02
               331           332           333           334           335 
      1   0.117425D+02 -0.163863D+02 -0.361733D+02  0.176975D+03  0.289780D+01
      2  -0.268548D+01  0.689140D+01  0.426040D+01 -0.105685D+03 -0.139802D+01
      3  -0.905701D+01  0.949485D+01  0.319129D+02 -0.712902D+02 -0.149978D+01
      4   0.106416D+01  0.807592D+01  0.599517D+01  0.902497D+01  0.142713D+02
      5  -0.114342D+00  0.111223D+02  0.288785D+02  0.748437D+02  0.910065D+00
      6  -0.423839D+01  0.145558D+02  0.235338D+02  0.189175D+01  0.329706D+01
               336           337           338           339           340 
      1   0.399509D+02  0.361866D+01  0.114228D+02 -0.254421D+00  0.257089D+02
      2  -0.285585D+02 -0.168940D+01 -0.537239D+01  0.892257D+00 -0.208429D+02
      3  -0.113924D+02 -0.192925D+01 -0.605039D+01 -0.637836D+00 -0.486599D+01
      4   0.647166D+00  0.188544D+02  0.679195D+00  0.587785D+01 -0.317447D+00
      5   0.367933D+02 -0.606536D+00  0.667138D+01 -0.918924D+00  0.299499D+02
      6   0.209776D+01  0.446275D+01  0.106868D+01  0.323897D+01  0.261145D+01
               341           342           343           344           345 
      1   0.101632D+00  0.194021D+02  0.705270D+01 -0.552331D+01  0.172982D+02
      2   0.185113D+01 -0.155951D+02 -0.698348D+01  0.857096D-01 -0.164001D+01
      3  -0.195276D+01 -0.380704D+01 -0.692224D-01  0.543760D+01 -0.156582D+02
      4   0.467054D+00 -0.345397D+00 -0.264420D+01 -0.574665D+01  0.583445D+01
      5  -0.765719D+00  0.165038D+02  0.933002D+01  0.378341D+01 -0.113536D+02
      6   0.182370D+01 -0.682341D-01 -0.983165D+00 -0.241900D+01  0.110358D+01
               346           347           348           349           350 
      1  -0.622681D+01 -0.979311D+01  0.777631D+01  0.760897D+01  0.587780D+01
      2   0.590204D+01  0.351195D+00  0.732098D+01 -0.663495D+01  0.624352D+01
      3   0.324766D+00  0.944191D+01 -0.150973D+02 -0.974023D+00 -0.121213D+02
      4   0.230365D+01 -0.157694D+02  0.182685D+02 -0.472752D+01  0.147407D+02
      5  -0.719257D+01  0.156792D+02 -0.287556D+02  0.118086D+02 -0.208322D+02
      6   0.431008D+00 -0.714578D+01  0.870456D+01 -0.136747D+01  0.724117D+01
               351           352           353           354           355 
      1  -0.213863D+02  0.524516D+02 -0.284967D+02 -0.463775D+01 -0.361161D+02
      2  -0.168797D+02 -0.246174D+02  0.127344D+02  0.223888D+01  0.133264D+02
      3   0.382660D+02 -0.278342D+02  0.157623D+02  0.239887D+01  0.227897D+02
      4  -0.232821D+02 -0.400733D+02  0.286164D+02  0.414314D+01  0.458510D+02
      5   0.553037D+02 -0.594251D+01  0.387157D+01  0.113941D+02  0.520559D+01
      6  -0.801965D+01  0.140885D+01 -0.755014D+00 -0.114577D+01 -0.157553D+01
               356           357           358           359           360 
      1   0.201876D+02  0.329159D+01 -0.149189D+02  0.661369D+01  0.106852D+02
      2  -0.123281D+01 -0.877450D+00  0.756081D+01 -0.287548D+01 -0.710925D+01
      3  -0.189547D+02 -0.241414D+01  0.735814D+01 -0.373822D+01 -0.357596D+01
      4  -0.530588D+02 -0.669151D+01  0.118689D+02 -0.856413D+01 -0.867059D+01
      5  -0.612102D+01 -0.556197D+01  0.213618D+02 -0.775774D+01 -0.583493D+01
      6   0.972229D+00  0.330999D+01 -0.228645D+01  0.430584D+01  0.116075D+01
               361           362           363           364           365 
      1  -0.448357D+02 -0.183566D+02 -0.141026D+02 -0.188494D+02 -0.120427D+02
      2   0.216286D+02  0.105549D+02 -0.491185D+01  0.104051D+02  0.419980D+01
      3   0.232071D+02  0.780174D+01  0.190145D+02  0.844436D+01  0.784294D+01
      4  -0.206523D+02 -0.951199D+01  0.782766D+00 -0.558332D+01 -0.636571D+01
      5   0.222693D+02  0.110548D+02 -0.117502D+02  0.110600D+02 -0.167102D+01
      6   0.691741D+01  0.530383D+01  0.274042D+00  0.285149D+01  0.354370D+01
               366           367           368           369           370 
      1  -0.192156D+01 -0.956942D+00  0.372788D+00 -0.115218D+02  0.481999D+00
      2  -0.381353D+01 -0.625192D+01 -0.320899D+01  0.510561D+01 -0.351389D+01
      3   0.573509D+01  0.720886D+01  0.283620D+01  0.641621D+01  0.303190D+01
      4  -0.642012D+01  0.272686D+01 -0.245573D+01 -0.467426D+01  0.279544D+01
      5  -0.556621D+01 -0.740508D+01 -0.442305D+01  0.594679D+01 -0.999670D+01
      6   0.574990D+01  0.106276D+00  0.311697D+01  0.895545D+00 -0.355448D+01
               371           372           373           374           375 
      1   0.433057D+01 -0.922370D+01  0.281881D+01 -0.129974D+02  0.185315D+02
      2  -0.150956D+01  0.599355D+01 -0.530978D+01  0.318224D+01  0.668853D+01
      3  -0.282102D+01  0.323015D+01  0.249097D+01  0.981514D+01 -0.252200D+02
      4   0.450782D+01 -0.128660D+01  0.124404D+02  0.298083D+02 -0.253502D+02
      5  -0.139188D+01  0.110933D+02 -0.140883D+02 -0.269715D+02  0.402502D+02
      6  -0.143651D+01  0.724159D-01 -0.945467D+01 -0.266753D+02  0.282309D+02
               376           377           378           379           380 
      1  -0.406350D+01  0.121557D+02 -0.179478D+02  0.346860D+02 -0.170363D+02
      2   0.872474D+01  0.328923D+01 -0.137146D+02 -0.296929D+02  0.141670D+02
      3  -0.466125D+01 -0.154449D+02  0.316624D+02 -0.499311D+01  0.286927D+01
      4  -0.645304D+01 -0.179420D+02  0.216808D+02 -0.230543D+02  0.179549D+02
      5   0.192332D+02  0.222991D+02 -0.447205D+02 -0.423086D+02  0.210881D+02
      6   0.597293D+01  0.201059D+02 -0.254084D+02  0.103637D+02 -0.869195D+01
               381           382           383           384           385 
      1  -0.169023D+02 -0.242737D+02  0.107730D+02  0.105786D+02 -0.957389D+01
      2   0.227445D+02  0.217659D+02 -0.132605D+02 -0.187817D+02  0.173573D+02
      3  -0.584220D+01  0.250778D+01  0.248753D+01  0.820312D+01 -0.778343D+01
      4   0.150821D+02  0.261996D+02 -0.273956D+02 -0.250129D+02  0.120023D+02
      5   0.403250D+02  0.340674D+02 -0.293613D+02 -0.335523D+02  0.320445D+02
      6  -0.659021D+01 -0.135384D+02  0.140656D+02  0.155581D+02 -0.628469D+01
               386           387           388           389           390 
      1   0.480253D+01  0.907950D+01  0.442615D+02  0.991553D+01  0.237534D+02
      2  -0.906866D+01 -0.212488D+02 -0.182786D+02 -0.112196D+01 -0.827328D+01
      3   0.426613D+01  0.121694D+02 -0.259829D+02 -0.879356D+01 -0.154801D+02
      4  -0.135445D+02 -0.133541D+02  0.175861D+02  0.143077D+02  0.141163D+02
      5  -0.158902D+02 -0.370090D+02  0.214464D+02  0.101581D+02  0.189524D+02
      6   0.965036D+01  0.778199D+01  0.623681D+01  0.209176D+01  0.386523D+01
               391           392           393           394           395 
      1   0.991775D+01  0.137340D+02  0.113056D+02  0.541263D+02  0.181424D+02
      2   0.141058D+01 -0.129180D+01 -0.186833D+01 -0.211279D+02 -0.359955D+01
      3  -0.113283D+02 -0.124422D+02 -0.943729D+01 -0.329984D+02 -0.145429D+02
      4   0.231668D+02  0.201562D+02  0.985229D+01  0.273145D+02  0.176378D+02
      5   0.116977D+02  0.678805D+01  0.145921D+02  0.232007D+02  0.146075D+02
      6   0.117479D+01  0.137359D+01  0.624728D+01  0.523913D+01  0.519648D+01
               396           397           398           399           400 
      1   0.225264D+02  0.113828D+03 -0.311824D+02 -0.298227D+02 -0.101780D+03
      2  -0.550172D+01 -0.696326D+02  0.196336D+02  0.209759D+02  0.619140D+02
      3  -0.170246D+02 -0.441953D+02  0.115488D+02  0.884678D+01  0.398665D+02
      4   0.189916D+02 -0.263646D+02  0.162330D+02  0.718201D+01  0.285553D+02
      5   0.482318D+02 -0.423708D+02  0.121635D+02  0.254717D+02  0.412985D+02
      6   0.112491D+02  0.418750D+01 -0.197874D+01  0.652297D+00 -0.389926D+01
               401           402           403           404           405 
      1   0.282906D+02  0.260407D+02 -0.458561D+02  0.102396D+02  0.280941D+02
      2  -0.187050D+02 -0.195528D+02  0.326806D+02 -0.893592D+01 -0.203458D+02
      3  -0.958564D+01 -0.648786D+01  0.131755D+02 -0.130370D+01 -0.774834D+01
      4  -0.247233D+02 -0.137880D+02  0.692937D+01 -0.118862D+02 -0.276638D+01
      5  -0.167407D+02 -0.203300D+02  0.437358D+02 -0.570371D+01 -0.243283D+02
      6   0.357836D+01  0.340428D+01  0.231320D+01  0.425628D+01 -0.429729D+00
               406           407           408           409           410 
      1   0.131969D+02  0.786661D+01 -0.110581D+02  0.211513D+02  0.757237D+01
      2  -0.591254D+01 -0.243062D+01  0.572525D+01 -0.468893D+01  0.100635D+02
      3  -0.728437D+01 -0.543599D+01  0.533285D+01 -0.164624D+02 -0.176358D+02
      4   0.109007D+02  0.104888D+02 -0.524491D+01  0.447187D+02  0.631734D+02
      5  -0.141036D+02 -0.483767D+01  0.913755D+01 -0.242088D+02 -0.372550D+02
      6  -0.561769D+01 -0.252346D+01  0.201189D+01 -0.147701D+02 -0.251240D+02
               411           412           413           414           415 
      1  -0.307076D+00 -0.276706D+02 -0.132950D+01  0.799286D+01 -0.212047D+02
      2  -0.303710D+01  0.155059D+02 -0.250485D+01 -0.635163D+01  0.235783D+02
      3   0.334418D+01  0.121647D+02  0.383434D+01 -0.164123D+01 -0.237362D+01
      4  -0.365648D+02 -0.262315D+02 -0.377783D+02  0.340880D+02 -0.317932D+01
      5   0.337967D+02  0.356313D+02  0.338619D+02 -0.402100D+02  0.526333D+01
      6   0.195903D+02  0.138806D+02  0.199644D+02 -0.199945D+02  0.515017D+01
               416           417           418           419           420 
      1   0.334413D+02  0.995332D+01  0.154345D+02 -0.307367D+02 -0.111757D+02
      2  -0.361751D+02 -0.118454D+02 -0.149131D+02  0.413122D+02  0.134431D+02
      3   0.273378D+01  0.189205D+01 -0.521359D+00 -0.105756D+02 -0.226736D+01
      4  -0.142511D+00  0.155729D+01  0.356859D+01  0.979435D+01  0.296995D+01
      5  -0.691318D+01 -0.835736D+01 -0.397752D+01  0.914309D+01  0.382096D+01
      6  -0.539029D+01 -0.111728D+02 -0.368040D+01  0.800979D+01  0.679955D+01
               421           422           423           424           425 
      1   0.124082D+02 -0.228415D+02 -0.178498D+02  0.323578D+02  0.907769D+01
      2  -0.112780D+02  0.294795D+02  0.146567D+02  0.763902D+01  0.243497D+02
      3  -0.113027D+01 -0.663803D+01  0.319317D+01 -0.399968D+02 -0.334274D+02
      4   0.455086D+01  0.103136D+02 -0.531230D+00  0.685822D+02  0.637869D+02
      5  -0.623296D+01  0.780937D+01  0.807812D+01 -0.129481D+02 -0.108961D+02
      6  -0.790161D+01  0.107224D+02  0.103178D+02 -0.837013D+01 -0.103737D+02
               426           427           428           429           430 
      1   0.315931D-01  0.867712D+01  0.650770D+00 -0.140844D+01  0.122083D+01
      2  -0.334662D+01  0.168817D+02  0.336000D+02 -0.699830D+00 -0.575332D+00
      3   0.331503D+01 -0.255589D+02 -0.342508D+02  0.210827D+01 -0.645496D+00
      4  -0.840864D+01  0.496437D+02  0.621069D+02 -0.666662D+01 -0.177087D+01
      5   0.835289D+01 -0.798553D+01 -0.763533D+01  0.702825D+01  0.748788D+01
      6   0.712665D+01 -0.657505D+01 -0.847257D+01  0.714721D+01  0.631334D+01
               431           432           433           434           435 
      1  -0.178137D+01 -0.101030D+01 -0.983709D+01  0.124259D+02 -0.149026D+02
      2   0.320574D+01  0.296750D+01  0.641379D+01 -0.893281D+01  0.288999D+01
      3  -0.142437D+01 -0.195720D+01  0.342330D+01 -0.349313D+01  0.120127D+02
      4  -0.980302D+00  0.936834D+01  0.884792D+00  0.197744D+01 -0.435653D+01
      5   0.886110D+01 -0.475569D+01 -0.259676D+01  0.129716D+01 -0.826773D+01
      6   0.942024D+01 -0.503536D+01 -0.638334D+01  0.464024D+01 -0.146330D+02
               436           437           438           439           440 
      1   0.125898D+01 -0.514257D+01  0.350923D+01 -0.847827D+01  0.174961D+02
      2  -0.581452D+00  0.255825D+01 -0.573113D+01  0.192722D+01 -0.149673D+02
      3  -0.677532D+00  0.258433D+01  0.222190D+01  0.655105D+01 -0.252879D+01
      4   0.118281D+01 -0.171829D+01 -0.466591D+01 -0.538081D+01 -0.109735D+02
      5  -0.101924D+01 -0.486025D+01  0.897478D+00 -0.459788D+00  0.111436D+02
      6  -0.448010D-01 -0.514146D+01  0.627519D+01 -0.588519D+01  0.191061D+02
               441           442           443           444           445 
      1  -0.351386D+02  0.422067D+00  0.435179D+01  0.922318D+01  0.281255D+01
      2   0.409554D+01 -0.346174D+01 -0.150272D+01 -0.595508D+01 -0.527889D+01
      3   0.310431D+02  0.303968D+01 -0.284907D+01 -0.326810D+01  0.246634D+01
      4   0.639133D+00  0.276175D+01  0.444587D+01  0.123202D+01  0.123640D+02
      5  -0.349386D+02  0.991573D+01  0.134141D+01  0.109943D+02  0.139979D+02
      6  -0.409335D+02  0.353859D+01  0.138757D+01  0.180296D-01  0.940350D+01
               446           447           448           449           450 
      1  -0.131055D+02 -0.186195D+02  0.404150D+01 -0.122164D+02 -0.180006D+02
      2   0.325596D+01 -0.662568D+01 -0.866943D+01 -0.323802D+01 -0.136284D+02
      3   0.984956D+01  0.252452D+02  0.462793D+01  0.154545D+02  0.316290D+02
      4   0.298202D+02  0.253173D+02  0.638495D+01  0.179125D+02  0.216180D+02
      5   0.269217D+02  0.401564D+02  0.191185D+02  0.222206D+02  0.445545D+02
      6   0.267094D+02  0.282354D+02  0.592029D+01  0.201045D+02  0.253758D+02
               451           452           453           454           455 
      1  -0.447578D+02 -0.183305D+02  0.140471D+02 -0.188581D+02 -0.120727D+02
      2   0.216098D+02  0.105561D+02  0.490827D+01  0.104270D+02  0.422598D+01
      3   0.231480D+02  0.777436D+01 -0.189554D+02  0.843110D+01  0.784670D+01
      4  -0.206395D+02 -0.951242D+01 -0.816077D+00 -0.561390D+01 -0.636467D+01
      5  -0.222862D+02 -0.110752D+02 -0.117221D+02 -0.110984D+02  0.164636D+01
      6  -0.693325D+01 -0.531300D+01  0.265846D+00 -0.286664D+01 -0.354433D+01
               456           457           458           459           460 
      1   0.191076D+01  0.901431D+00 -0.389552D+00 -0.114640D+02  0.346084D+02
      2   0.383366D+01  0.627362D+01  0.322322D+01  0.511645D+01 -0.296794D+02
      3  -0.574442D+01 -0.717505D+01 -0.283367D+01  0.634759D+01 -0.492903D+01
      4   0.640405D+01 -0.275866D+01  0.244747D+01 -0.468131D+01 -0.229850D+02
      5  -0.559826D+01 -0.743355D+01 -0.444529D+01 -0.598670D+01  0.423182D+02
      6   0.574259D+01  0.903840D-01  0.310640D+01 -0.903991D+00 -0.103457D+02
               461           462           463           464           465 
      1  -0.169666D+02  0.168784D+02 -0.241664D+02  0.106813D+02 -0.105434D+02
      2   0.141448D+02 -0.227780D+02  0.217285D+02 -0.132304D+02  0.188017D+02
      3   0.282181D+01  0.589961D+01  0.243795D+01  0.254910D+01 -0.825831D+01
      4   0.178959D+02 -0.150861D+02  0.261125D+02 -0.272995D+02  0.250026D+02
      5  -0.210786D+02  0.403957D+02 -0.340425D+02  0.293309D+02 -0.335921D+02
      6   0.867077D+01 -0.659378D+01  0.135058D+02 -0.140288D+02  0.155651D+02
               466           467           468           469           470 
      1   0.958864D+01 -0.479650D+01  0.906189D+01  0.131377D+02  0.787087D+01
      2  -0.174157D+02  0.909220D+01 -0.213438D+02 -0.588213D+01 -0.243745D+01
      3   0.782708D+01 -0.429570D+01  0.122819D+02 -0.725559D+01 -0.543341D+01
      4  -0.120183D+02  0.135591D+02 -0.133943D+02  0.108844D+02  0.104688D+02
      5   0.321349D+02 -0.159334D+02  0.371849D+02  0.140751D+02  0.482080D+01
      6  -0.629477D+01  0.966151D+01 -0.780489D+01  0.560995D+01  0.251856D+01
               471           472           473           474           475 
      1   0.110364D+02  0.211667D+02  0.754666D+01  0.297149D+00  0.276223D+02
      2  -0.571780D+01 -0.471633D+01  0.100523D+02  0.302564D+01 -0.155020D+02
      3  -0.531857D+01 -0.164503D+02 -0.175989D+02 -0.332279D+01 -0.121203D+02
      4   0.522027D+01  0.447025D+02  0.631719D+02  0.365880D+02  0.261840D+02
      5   0.913078D+01  0.242197D+02  0.372793D+02  0.338072D+02  0.356437D+02
      6   0.200401D+01  0.147818D+02  0.251448D+02  0.196058D+02  0.138760D+02
               476           477           478           479           480 
      1   0.129399D+01  0.799503D+01  0.113436D+03 -0.311554D+02  0.298405D+02
      2   0.250163D+01 -0.637603D+01 -0.694354D+02  0.196227D+02 -0.210034D+02
      3  -0.379562D+01 -0.161900D+01 -0.440002D+02  0.115327D+02 -0.883716D+01
      4   0.377627D+02  0.340739D+02 -0.264054D+02  0.162251D+02 -0.722444D+01
      5   0.338479D+02  0.402239D+02  0.423952D+02 -0.122080D+02  0.255155D+02
      6   0.199677D+02  0.199996D+02 -0.420226D+01  0.198244D+01  0.640665D+00
               481           482           483           484           485 
      1  -0.101670D+03  0.282794D+02 -0.261131D+02  0.459157D+02 -0.102848D+02
      2   0.618805D+02 -0.187112D+02  0.196203D+02 -0.327543D+02  0.897460D+01
      3   0.397897D+02 -0.956814D+01  0.649273D+01 -0.131614D+02  0.131021D+01
      4   0.285889D+02 -0.247591D+02  0.138515D+02 -0.699712D+01  0.119293D+02
      5  -0.414194D+02  0.168079D+02 -0.204265D+02  0.438397D+02 -0.575707D+01
      6   0.392074D+01 -0.359683D+01  0.342077D+01  0.229709D+01  0.426601D+01
               486           487           488           489           490 
      1   0.281484D+02  0.445028D+02  0.996410D+01 -0.238187D+02  0.995203D+01
      2  -0.204170D+02 -0.183785D+02 -0.113825D+01  0.829410D+01  0.139511D+01
      3  -0.773147D+01 -0.261243D+02 -0.882585D+01  0.155246D+02 -0.113471D+02
      4  -0.281461D+01  0.176536D+02  0.143310D+02 -0.141200D+02  0.231725D+02
      5   0.244607D+02 -0.214700D+02 -0.101529D+02  0.189916D+02 -0.116906D+02
      6   0.424206D+00 -0.623334D+01 -0.208367D+01  0.386548D+01 -0.116233D+01
               491           492           493           494           495 
      1   0.137551D+02 -0.113240D+02 -0.542172D+02 -0.181507D+02  0.225917D+02
      2  -0.131977D+01  0.189026D+01  0.211659D+02  0.361883D+01 -0.553951D+01
      3  -0.124354D+02  0.943376D+01  0.330513D+02  0.145319D+02 -0.170522D+02
      4   0.201138D+02 -0.981172D+01 -0.273021D+02 -0.175909D+02  0.189306D+02
      5  -0.674317D+01  0.145276D+02  0.232028D+02  0.145375D+02 -0.481622D+02
      6  -0.135473D+01  0.622798D+01  0.522644D+01  0.517191D+01 -0.112156D+02
               496           497           498           499           500 
      1   0.177224D+03  0.280769D+01 -0.398560D+02  0.352477D+01  0.114344D+02
      2  -0.105770D+03 -0.134490D+01  0.284777D+02 -0.163510D+01 -0.537801D+01
      3  -0.714543D+02 -0.146279D+01  0.113783D+02 -0.188967D+01 -0.605643D+01
      4   0.888609D+01  0.142694D+02 -0.602838D+00  0.188585D+02  0.656990D+00
      5  -0.746890D+02 -0.860177D+00  0.366938D+02  0.650836D+00 -0.665719D+01
      6  -0.184983D+01 -0.328832D+01  0.207798D+01 -0.445003D+01 -0.105710D+01
               501           502           503           504           505 
      1   0.278810D+00 -0.255340D+02 -0.834073D-01  0.193496D+02  0.709511D+01
      2  -0.907316D+00  0.207109D+02 -0.186330D+01 -0.155367D+02 -0.699484D+01
      3   0.628506D+00  0.482313D+01  0.194670D+01 -0.381296D+01 -0.100263D+00
      4  -0.586380D+01  0.349113D+00 -0.454018D+00 -0.368562D+00 -0.266151D+01
      5  -0.938635D+00  0.298339D+02 -0.788127D+00 -0.163935D+02 -0.932086D+01
      6   0.323173D+01  0.258884D+01  0.181503D+01  0.832040D-01  0.987910D+00
               506           507           508           509           510 
      1  -0.553352D+01 -0.172579D+02 -0.624519D+01 -0.977738D+01 -0.774067D+01
      2   0.102041D+00  0.164069D+01  0.592138D+01  0.346217D+00 -0.732934D+01
      3   0.543148D+01  0.156173D+02  0.323806D+00  0.943117D+01  0.150700D+02
      4  -0.573973D+01 -0.581342D+01  0.233146D+01 -0.157940D+02 -0.182966D+02
      5  -0.376740D+01 -0.113396D+02  0.723015D+01 -0.157132D+02 -0.287856D+02
      6   0.241401D+01  0.110062D+01 -0.442794D+00  0.715345D+01  0.871436D+01
               511           512           513           514           515 
      1  -0.758683D+01 -0.585177D+01 -0.213352D+02 -0.193406D+02  0.187512D+02
      2   0.664006D+01 -0.625936D+01 -0.168935D+02  0.966976D+01 -0.924114D+01
      3   0.946772D+00  0.121111D+02  0.382287D+02  0.967082D+01 -0.951007D+01
      4   0.476387D+01 -0.147674D+02 -0.233098D+02  0.286426D+01 -0.326160D+00
      5   0.118489D+02 -0.208712D+02 -0.553714D+02 -0.450761D+01  0.548605D+01
      6  -0.137833D+01  0.725301D+01  0.803796D+01 -0.805387D+01  0.913856D+01
               516           517           518           519           520 
      1  -0.304772D+02  0.695590D+01 -0.948863D+01  0.109436D+02 -0.117007D+02
      2   0.763041D+01 -0.253978D+01  0.647084D+01 -0.731926D+01  0.266894D+01
      3   0.228468D+02 -0.441612D+01  0.301779D+01 -0.362432D+01  0.903179D+01
      4   0.198866D+01  0.698649D+01  0.989693D+01 -0.889128D+01 -0.104503D+01
      5  -0.183189D+02 -0.756551D+00 -0.958443D+01  0.686832D+01 -0.955343D-01
      6  -0.176250D+02  0.317411D+00 -0.106456D+02  0.114437D+02 -0.422077D+01
               521           522           523           524           525 
      1   0.164026D+02 -0.362202D+02  0.466883D+02  0.264629D+02 -0.940024D+01
      2  -0.688645D+01  0.423637D+01 -0.151626D+02 -0.103008D+01  0.382864D+01
      3  -0.951619D+01  0.319838D+02 -0.315257D+02 -0.254329D+02  0.557160D+01
      4  -0.809917D+01  0.604052D+01  0.577866D+02  0.540998D+02 -0.147967D+02
      5   0.111677D+02 -0.290132D+02 -0.255285D+02 -0.174053D+02  0.166625D+02
      6   0.145766D+02 -0.235916D+02 -0.155381D+02 -0.142347D+02  0.792117D+01
               526           527           528           529           530 
      1   0.321499D+02  0.199284D+02 -0.412782D+01  0.587542D+01  0.280011D+01
      2  -0.806098D+00  0.124629D+02 -0.695862D+00 -0.130967D+01  0.156938D+00
      3  -0.313438D+02 -0.323913D+02  0.482368D+01 -0.456575D+01 -0.295705D+01
      4   0.690247D+02  0.747848D+02 -0.229081D+02  0.723837D+00 -0.766963D+01
      5  -0.270578D+02 -0.270464D+02  0.182078D+02  0.868004D+01  0.117333D+02
      6  -0.213320D+02 -0.239576D+02  0.141348D+02  0.428639D+01  0.912041D+01
               531           532           533           534           535 
      1   0.456263D+00  0.523001D+02 -0.284652D+02  0.464227D+01 -0.360688D+02
      2   0.125784D+01 -0.245372D+02  0.127196D+02 -0.224111D+01  0.132992D+02
      3  -0.171410D+01 -0.277628D+02  0.157456D+02 -0.240116D+01  0.227696D+02
      4   0.120455D+02 -0.400344D+02  0.285962D+02 -0.416696D+01  0.458385D+02
      5  -0.715958D+01  0.596378D+01 -0.389680D+01  0.113926D+02 -0.524986D+01
      6  -0.618120D+01 -0.142772D+01  0.765737D+00 -0.114812D+01  0.159430D+01
               536           537           538           539           540 
      1   0.201481D+02 -0.330800D+01  0.149260D+02 -0.663043D+01  0.106804D+02
      2  -0.119657D+01  0.880875D+00 -0.756334D+01  0.288041D+01 -0.710646D+01
      3  -0.189516D+02  0.242712D+01 -0.736263D+01  0.375002D+01 -0.357391D+01
      4  -0.531127D+02  0.673524D+01 -0.119107D+02  0.861819D+01 -0.869266D+01
      5   0.617033D+01 -0.557822D+01  0.213733D+02 -0.777991D+01  0.587647D+01
      6  -0.994049D+00  0.331730D+01 -0.228891D+01  0.431590D+01 -0.116892D+01
               541           542           543           544           545 
      1   0.324494D+02  0.911808D+01 -0.407217D-02  0.869156D+01  0.703955D+00
      2   0.758740D+01  0.243255D+02  0.333718D+01  0.168542D+02  0.335134D+02
      3  -0.400368D+02 -0.334436D+02 -0.333310D+01 -0.255457D+02 -0.342174D+02
      4   0.686558D+02  0.638180D+02  0.843170D+01  0.496309D+02  0.620521D+02
      5   0.129734D+02  0.108992D+02  0.836263D+01  0.798883D+01  0.763355D+01
      6   0.838317D+01  0.103749D+02  0.712378D+01  0.658037D+01  0.846119D+01
               546           547           548           549           550 
      1   0.141753D+01 -0.119992D+01  0.178192D+01 -0.100776D+01 -0.211333D+02
      2   0.696680D+00  0.584116D+00 -0.317932D+01  0.297553D+01  0.235143D+02
      3  -0.211421D+01  0.615805D+00  0.139739D+01 -0.196777D+01 -0.238098D+01
      4   0.667609D+01  0.182104D+01  0.102919D+01  0.938038D+01 -0.312430D+01
      5   0.703256D+01  0.750536D+01  0.887583D+01  0.476340D+01 -0.524100D+01
      6   0.714914D+01  0.632001D+01  0.943399D+01  0.504144D+01 -0.515638D+01
               551           552           553           554           555 
      1   0.334207D+02 -0.998102D+01  0.154192D+02 -0.307743D+02  0.112194D+02
      2  -0.361505D+02  0.118723D+02 -0.148923D+02  0.413651D+02 -0.134998D+02
      3   0.272983D+01 -0.189131D+01 -0.526974D+00 -0.105908D+02  0.228038D+01
      4  -0.158749D+00 -0.153685D+01  0.356547D+01  0.984875D+01 -0.299536D+01
      5   0.692508D+01 -0.836683D+01  0.397649D+01 -0.917375D+01  0.385085D+01
      6   0.542961D+01 -0.111870D+02  0.369678D+01 -0.806452D+01  0.683777D+01
               556           557           558           559           560 
      1  -0.124065D+02  0.229089D+02 -0.179061D+02 -0.986590D+01  0.124692D+02
      2   0.112762D+02 -0.295612D+02  0.147208D+02  0.643237D+01 -0.898270D+01
      3   0.113029D+01  0.665229D+01  0.318529D+01  0.343353D+01 -0.348646D+01
      4  -0.453813D+01 -0.103631D+02 -0.498545D+00  0.866766D+00  0.195048D+01
      5  -0.623485D+01  0.785447D+01 -0.813325D+01  0.260350D+01 -0.130541D+01
      6  -0.790990D+01  0.107816D+02 -0.103842D+02  0.640435D+01 -0.466041D+01
               561           562           563           564           565 
      1   0.149338D+02  0.127832D+01 -0.517595D+01 -0.352913D+01  0.850356D+01
      2  -0.291363D+01 -0.604306D+00  0.258843D+01  0.573453D+01 -0.193147D+01
      3  -0.120201D+02 -0.674013D+00  0.258752D+01 -0.220540D+01 -0.657209D+01
      4   0.436597D+01  0.117250D+01 -0.171801D+01  0.466298D+01  0.539475D+01
      5  -0.829923D+01  0.101861D+01  0.486242D+01  0.922547D+00 -0.496163D+00
      6  -0.146673D+02  0.342772D-01  0.515576D+01  0.630006D+01 -0.591757D+01
               566           567 
      1  -0.175032D+02 -0.351318D+02
      2   0.149862D+02  0.417005D+01
      3   0.251700D+01  0.309618D+02
      4   0.109728D+02  0.622921D+00
      5   0.111452D+02  0.348640D+02
      6   0.191091D+02  0.408718D+02
 Leave Link  716 at Sat Jul 24 18:39:24 2021, MaxMem= 16106127360 cpu:               8.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.543181D+03  0.380827D+02 -0.137341D-01
      2   0.380827D+02  0.342251D+03 -0.183699D-02
      3  -0.137341D-01 -0.183699D-02  0.252650D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867779D+02  0.226410D+02  0.398276D-01
      2  -0.206099D+03  0.215103D+02  0.533712D-01
      3  -0.256513D+01  0.192479D+00 -0.167462D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242245D+00  0.179507D-01 -0.636467D+00
      2  -0.186591D+00  0.222846D-01 -0.109753D+03
      3  -0.556539D-01 -0.402352D-01  0.110390D+03
      4  -0.756973D-01 -0.588778D-01  0.877023D+02
      5   0.158233D+03  0.918448D+02  0.384817D-01
      6   0.682570D+02  0.468467D+02 -0.121585D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.969712D+01 -0.656877D+00  0.204502D+01  0.206413D+01  0.222205D+01
      2  -0.656877D+00  0.824724D+00  0.651111D+00  0.222205D+01 -0.852956D+00
      3   0.204502D+01  0.651111D+00  0.178000D+01 -0.367118D+00  0.455869D+00
                 6             7             8             9            10 
      1  -0.367118D+00 -0.587717D+01 -0.104805D+01  0.232242D+01 -0.195737D+02
      2   0.455869D+00 -0.104805D+01 -0.905881D+00  0.340681D+01 -0.873362D+00
      3   0.348703D+01  0.232242D+01  0.340681D+01  0.569462D+00 -0.570525D+00
                11            12            13            14            15 
      1  -0.873362D+00 -0.570525D+00  0.103696D+02 -0.383399D+01  0.983032D+00
      2  -0.377983D+01  0.867338D+00 -0.383399D+01 -0.575119D+00 -0.211667D+01
      3   0.867338D+00 -0.198397D+01  0.983032D+00 -0.211667D+01 -0.447459D+01
                16            17            18            19            20 
      1   0.166882D+01  0.923925D+00 -0.472862D+01  0.864148D+02  0.907967D+01
      2   0.923925D+00 -0.279857D+00 -0.295106D+01  0.907967D+01  0.110370D+02
      3  -0.472862D+01 -0.295106D+01  0.230733D+00  0.675801D+00  0.116027D+01
                21            22            23            24            25 
      1   0.675801D+00  0.258684D+02  0.152212D+02 -0.638314D+00  0.364277D+02
      2   0.116027D+01  0.152212D+02  0.113331D+02  0.172197D+01  0.385920D+01
      3   0.149574D+01 -0.638314D+00  0.172197D+01  0.137161D+01  0.316425D+01
                26            27            28            29            30 
      1   0.385920D+01  0.316425D+01 -0.195861D+03 -0.932247D+01 -0.519319D+01
      2   0.164652D+01  0.179629D+01 -0.932247D+01  0.468178D+01 -0.121618D-01
      3   0.179629D+01  0.902973D+00 -0.519319D+01 -0.121618D-01 -0.156328D+00
                31            32            33            34            35 
      1   0.168534D+02 -0.102370D+02 -0.258186D+01  0.271034D+02 -0.163214D+01
      2  -0.102370D+02  0.480561D+01 -0.145706D+00 -0.163214D+01  0.817030D+00
      3  -0.258186D+01 -0.145706D+00  0.469862D+00  0.347818D+01  0.283235D+01
                36            37            38            39            40 
      1   0.347818D+01  0.733940D+02  0.109906D+02 -0.217203D+00  0.763035D+02
      2   0.283235D+01  0.109906D+02  0.113468D+01  0.206608D+01  0.150473D+02
      3   0.104557D+01 -0.217203D+00  0.206608D+01 -0.335218D+01  0.462456D+01
                41            42            43            44            45 
      1   0.150473D+02  0.462456D+01 -0.546096D+02  0.257163D+01 -0.570875D+01
      2   0.915876D+00 -0.154147D+01  0.257163D+01 -0.341082D-01 -0.146152D+01
      3  -0.154147D+01  0.201996D+01 -0.570875D+01 -0.146152D+01  0.247505D+01
                46            47            48            49            50 
      1   0.248087D+01 -0.486942D+01  0.182809D+01 -0.669593D+01 -0.734753D+01
      2  -0.486942D+01 -0.414149D+01 -0.244234D+00 -0.734753D+01 -0.510982D+00
      3   0.182809D+01 -0.244234D+00  0.321533D+01  0.127841D+01  0.251272D+01
                51            52            53            54            55 
      1   0.127841D+01 -0.212809D+01 -0.375537D+01  0.461373D+01 -0.647518D+01
      2   0.251272D+01 -0.375537D+01 -0.594033D+00 -0.292167D+00 -0.666948D+01
      3  -0.106180D+01  0.461373D+01 -0.292167D+00 -0.167208D+01  0.165832D+01
                56            57            58            59            60 
      1  -0.666948D+01  0.165832D+01 -0.471460D+02 -0.465823D+01 -0.320138D+01
      2  -0.286718D+00 -0.172905D+01 -0.465823D+01  0.859605D+00  0.294558D+01
      3  -0.172905D+01  0.420037D+01 -0.320138D+01  0.294558D+01  0.286962D+01
                61            62            63            64            65 
      1   0.193085D+02  0.654657D+00  0.601318D+01  0.380357D+03  0.237390D+02
      2   0.654657D+00  0.372910D+01  0.266802D+01  0.237390D+02 -0.413787D+01
      3   0.601318D+01  0.266802D+01 -0.120326D+01  0.361040D+01 -0.102873D+01
                66            67            68            69            70 
      1   0.361040D+01  0.126732D+03  0.173308D+02  0.784187D+01  0.142432D+03
      2  -0.102873D+01  0.173308D+02  0.720446D+01  0.115939D+01  0.923071D+01
      3   0.923472D-01  0.784187D+01  0.115939D+01  0.965969D+00  0.168430D+01
                71            72            73            74            75 
      1   0.923071D+01  0.168430D+01 -0.198515D+00 -0.354168D-01 -0.249019D+01
      2   0.629244D+00  0.114820D+01 -0.354168D-01  0.126674D-01  0.108614D-01
      3   0.114820D+01  0.389934D+00 -0.249019D+01  0.108614D-01  0.409272D-04
                76            77            78            79            80 
      1   0.121419D+01  0.215176D-01 -0.183120D+02 -0.210141D+03 -0.150462D+02
      2   0.215176D-01  0.114316D-01 -0.215995D+00 -0.150462D+02 -0.467183D+00
      3  -0.183120D+02 -0.215995D+00  0.722674D-02  0.525110D-01  0.488801D-02
                81            82            83            84            85 
      1   0.525110D-01  0.316706D+03  0.546146D+01 -0.412239D+00 -0.146895D+03
      2   0.488801D-02  0.546146D+01 -0.227377D+01 -0.105858D+01  0.148658D+00
      3  -0.469935D+00 -0.412239D+00 -0.105858D+01 -0.560767D-01  0.556224D+01
                86            87            88            89            90 
      1   0.148658D+00  0.556224D+01 -0.276620D+02 -0.640315D+00  0.203464D+00
      2  -0.403883D+01 -0.407128D+00 -0.640315D+00 -0.216705D+00 -0.122028D+01
      3  -0.407128D+00 -0.322201D+00  0.203464D+00 -0.122028D+01 -0.209881D+00
                91            92            93            94            95 
      1  -0.196862D+03 -0.833444D+01  0.245819D+01 -0.773453D+02 -0.266504D+02
      2  -0.833444D+01 -0.374683D+01 -0.194429D+00 -0.266504D+02 -0.230081D+02
      3   0.245819D+01 -0.194429D+00 -0.957736D+00 -0.456750D+01 -0.270985D+01
                96            97            98            99           100 
      1  -0.456750D+01 -0.312764D+02 -0.417123D+01 -0.225247D+01  0.218533D+02
      2  -0.270985D+01 -0.417123D+01 -0.279300D+01 -0.456846D+01 -0.731793D+01
      3  -0.258234D+01 -0.225247D+01 -0.456846D+01 -0.187640D+01 -0.296804D+00
               101           102           103           104           105 
      1  -0.731793D+01 -0.296804D+00 -0.132871D+02  0.161913D+02  0.252611D+01
      2  -0.439564D+01 -0.428016D+00  0.161913D+02  0.431371D+01  0.677423D+00
      3  -0.428016D+00 -0.134439D+01  0.252611D+01  0.677423D+00 -0.361975D+00
               106           107           108           109           110 
      1   0.198592D+01  0.248048D+01 -0.470926D-01  0.719752D+01  0.175237D+01
      2   0.248048D+01 -0.118950D+01  0.117347D+01  0.175237D+01  0.442228D+01
      3  -0.470926D-01  0.117347D+01 -0.354349D+00  0.201522D+01  0.327438D-01
               111           112           113           114           115 
      1   0.201522D+01 -0.714866D+01 -0.121008D+01 -0.113021D+01  0.634844D+01
      2   0.327438D-01 -0.121008D+01 -0.482819D+01  0.106074D+01  0.139108D+01
      3   0.101779D+01 -0.113021D+01  0.106074D+01 -0.625939D+00  0.225268D+01
               116           117           118           119           120 
      1   0.139108D+01  0.225268D+01 -0.148662D+02 -0.625844D+01  0.188405D+00
      2   0.469035D+01 -0.153953D+01 -0.625844D+01 -0.163801D+01 -0.158081D+01
      3  -0.153953D+01  0.373493D+01  0.188405D+00 -0.158081D+01  0.316139D+01
               121           122           123           124           125 
      1  -0.799590D+01 -0.245799D+01 -0.156696D+01  0.104350D+01 -0.168746D+01
      2  -0.245799D+01 -0.310862D+00  0.173309D+01 -0.168746D+01  0.177336D+01
      3  -0.156696D+01  0.173309D+01 -0.463003D+00  0.263852D+01 -0.830976D+00
               126           127           128           129           130 
      1   0.263852D+01  0.230815D+00  0.477969D+01 -0.884285D+00  0.247289D+02
      2  -0.830976D+00  0.477969D+01 -0.162887D+00  0.167007D+01  0.393043D+00
      3  -0.363689D+01 -0.884285D+00  0.167007D+01 -0.242351D+01  0.259540D+01
               131           132           133           134           135 
      1   0.393043D+00  0.259540D+01 -0.611238D+01  0.131635D+00 -0.403343D+01
      2  -0.176866D+01 -0.282922D+01  0.131635D+00 -0.318013D+01 -0.301734D+01
      3  -0.282922D+01 -0.252516D+01 -0.403343D+01 -0.301734D+01  0.140142D+01
               136           137           138           139           140 
      1   0.582782D+00  0.406968D+01 -0.129666D+01  0.401259D+01 -0.188171D+01
      2   0.406968D+01 -0.487499D+00  0.187920D+01 -0.188171D+01 -0.112730D+01
      3  -0.129666D+01  0.187920D+01 -0.234445D+01  0.150008D+01 -0.404804D+01
               141           142           143           144           145 
      1   0.150008D+01  0.908736D-01  0.146883D+01 -0.267913D+01 -0.379917D+03
      2  -0.404804D+01  0.146883D+01 -0.292647D+01 -0.210832D+01 -0.238801D+02
      3  -0.219059D+01 -0.267913D+01 -0.210832D+01  0.108726D+01  0.377608D+01
               146           147           148           149           150 
      1  -0.238801D+02  0.377608D+01 -0.128291D+03 -0.173742D+02  0.793196D+01
      2   0.412585D+01 -0.102725D+01 -0.173742D+02 -0.719494D+01  0.116518D+01
      3  -0.102725D+01 -0.924042D-01  0.793196D+01  0.116518D+01 -0.971149D+00
               151           152           153           154           155 
      1   0.143085D+03  0.927841D+01 -0.175853D+01  0.196779D+03  0.944042D+01
      2   0.927841D+01  0.631141D+00 -0.115039D+01  0.944042D+01 -0.467837D+01
      3  -0.175853D+01 -0.115039D+01  0.395714D+00 -0.523032D+01 -0.134506D-01
               156           157           158           159           160 
      1  -0.523032D+01 -0.159312D+02  0.101908D+02 -0.256937D+01  0.271552D+02
      2  -0.134506D-01  0.101908D+02 -0.482320D+01 -0.151567D+00 -0.159671D+01
      3   0.159052D+00 -0.256937D+01 -0.151567D+00 -0.468662D+00 -0.347881D+01
               161           162           163           164           165 
      1  -0.159671D+01 -0.347881D+01 -0.735063D+02 -0.110146D+02 -0.203835D+00
      2   0.827772D+00 -0.283437D+01 -0.110146D+02 -0.113570D+01  0.206750D+01
      3  -0.283437D+01  0.104990D+01 -0.203835D+00  0.206750D+01  0.334402D+01
               166           167           168           169           170 
      1  -0.766846D+02 -0.150819D+02  0.463167D+01 -0.547701D+02  0.255301D+01
      2  -0.150819D+02 -0.914493D+00 -0.153654D+01  0.255301D+01 -0.221256D-01
      3   0.463167D+01 -0.153654D+01 -0.200956D+01  0.570489D+01  0.147092D+01
               171           172           173           174           175 
      1   0.570489D+01  0.648702D+01  0.668215D+01  0.167264D+01  0.472079D+02
      2   0.147092D+01  0.668215D+01  0.288586D+00 -0.172204D+01  0.467158D+01
      3   0.249388D+01  0.167264D+01 -0.172204D+01 -0.418966D+01 -0.318834D+01
               176           177           178           179           180 
      1   0.467158D+01 -0.318834D+01  0.193290D+02  0.655706D+00 -0.599807D+01
      2  -0.858239D+00  0.294050D+01  0.655706D+00  0.372482D+01 -0.267694D+01
      3   0.294050D+01 -0.288411D+01 -0.599807D+01 -0.267694D+01 -0.121992D+01
               181           182           183           184           185 
      1   0.195684D+02  0.868749D+00 -0.580285D+00 -0.102977D+02  0.383122D+01
      2   0.868749D+00  0.377884D+01  0.864651D+00  0.383122D+01  0.581142D+00
      3  -0.580285D+00  0.864651D+00  0.197810D+01  0.979121D+00 -0.210736D+01
               186           187           188           189           190 
      1   0.979121D+00  0.172569D+01  0.940300D+00  0.472383D+01 -0.865573D+02
      2  -0.210736D+01  0.940300D+00 -0.270891D+00  0.295453D+01 -0.910237D+01
      3   0.447939D+01  0.472383D+01  0.295453D+01  0.239307D+00  0.688021D+00
               191           192           193           194           195 
      1  -0.910237D+01  0.688021D+00 -0.259928D+02 -0.151587D+02 -0.629014D+00
      2  -0.110384D+02  0.116109D+01 -0.151587D+02 -0.113360D+02  0.172812D+01
      3   0.116109D+01 -0.149619D+01 -0.629014D+00  0.172812D+01 -0.137271D+01
               196           197           198           199           200 
      1   0.363726D+02  0.385280D+01 -0.316969D+01  0.974341D+01  0.672026D+00
      2   0.385280D+01  0.162817D+01 -0.179608D+01  0.672026D+00 -0.820821D+00
      3  -0.316969D+01 -0.179608D+01  0.901415D+00  0.206371D+01  0.657717D+00
               201           202           203           204           205 
      1   0.206371D+01 -0.208118D+01 -0.222808D+01 -0.360445D+00 -0.588367D+01
      2   0.657717D+00 -0.222808D+01  0.848615D+00  0.450466D+00 -0.105146D+01
      3  -0.177427D+01 -0.360445D+00  0.450466D+00 -0.348710D+01 -0.231789D+01
               206           207           208           209           210 
      1  -0.105146D+01 -0.231789D+01 -0.244547D+01  0.487553D+01  0.183870D+01
      2  -0.911492D+00 -0.340662D+01  0.487553D+01  0.414927D+01 -0.242193D+00
      3  -0.340662D+01  0.563383D+00  0.183870D+01 -0.242193D+00 -0.320632D+01
               211           212           213           214           215 
      1   0.672731D+01  0.735905D+01  0.128106D+01 -0.213718D+01 -0.375890D+01
      2   0.735905D+01  0.523571D+00  0.251867D+01 -0.375890D+01 -0.591535D+00
      3   0.128106D+01  0.251867D+01  0.105767D+01 -0.460869D+01  0.285623D+00
               216           217           218           219           220 
      1  -0.460869D+01 -0.570281D+00 -0.406903D+01 -0.130708D+01 -0.401187D+01
      2   0.285623D+00 -0.406903D+01  0.499663D+00  0.186661D+01  0.189682D+01
      3  -0.168915D+01 -0.130708D+01  0.186661D+01  0.233696D+01  0.148400D+01
               221           222           223           224           225 
      1   0.189682D+01  0.148400D+01  0.924742D-01  0.145634D+01  0.267113D+01
      2   0.111560D+01 -0.404825D+01  0.145634D+01 -0.292437D+01  0.212196D+01
      3  -0.404825D+01  0.220661D+01  0.267113D+01  0.212196D+01  0.109328D+01
               226           227           228           229           230 
      1  -0.189769D+00 -0.478574D+01 -0.897071D+00 -0.247641D+02 -0.400245D+00
      2  -0.478574D+01  0.161174D+00  0.166254D+01 -0.400245D+00  0.176787D+01
      3  -0.897071D+00  0.166254D+01  0.241549D+01  0.258425D+01 -0.282215D+01
               231           232           233           234           235 
      1   0.258425D+01 -0.612686D+01  0.119432D+00  0.402214D+01  0.148803D+02
      2  -0.282215D+01  0.119432D+00 -0.317666D+01  0.302775D+01  0.626711D+01
      3   0.253695D+01  0.402214D+01  0.302775D+01  0.141118D+01  0.196157D+00
               236           237           238           239           240 
      1   0.626711D+01  0.196157D+00  0.803227D+01  0.246511D+01 -0.156783D+01
      2   0.164293D+01 -0.157834D+01  0.246511D+01  0.315261D+00  0.173143D+01
      3  -0.157834D+01 -0.315418D+01 -0.156783D+01  0.173143D+01  0.451906D+00
               241           242           243           244           245 
      1   0.107515D+01 -0.168462D+01 -0.263089D+01  0.196974D+03  0.835575D+01
      2  -0.168462D+01  0.177107D+01  0.821450D+00  0.835575D+01  0.372492D+01
      3  -0.263089D+01  0.821450D+00 -0.365261D+01  0.239557D+01 -0.206571D+00
               246           247           248           249           250 
      1   0.239557D+01  0.780467D+02  0.265788D+02 -0.459389D+01 -0.315103D+02
      2  -0.206571D+00  0.265788D+02  0.230259D+02 -0.271558D+01 -0.419111D+01
      3   0.956091D+00 -0.459389D+01 -0.271558D+01  0.258422D+01  0.226299D+01
               251           252           253           254           255 
      1  -0.419111D+01  0.226299D+01 -0.219484D+02  0.731483D+01 -0.283317D+00
      2  -0.278946D+01  0.457106D+01  0.731483D+01  0.440028D+01 -0.428529D+00
      3   0.457106D+01 -0.187468D+01 -0.283317D+00 -0.428529D+00  0.134464D+01
               256           257           258           259           260 
      1   0.132853D+02 -0.161384D+02  0.251713D+01  0.205176D+01  0.250453D+01
      2  -0.161384D+02 -0.431985D+01  0.677251D+00  0.250453D+01 -0.118098D+01
      3   0.251713D+01  0.677251D+00  0.362699D+00  0.493427D-01 -0.117399D+01
               261           262           263           264           265 
      1   0.493427D-01 -0.720768D+01 -0.175121D+01  0.201549D+01  0.715488D+01
      2  -0.117399D+01 -0.175121D+01 -0.442859D+01  0.326159D-01  0.120591D+01
      3  -0.350883D+00  0.201549D+01  0.326159D-01 -0.101851D+01 -0.113053D+01
               266           267           268           269           270 
      1   0.120591D+01 -0.113053D+01  0.634371D+01  0.138710D+01 -0.225407D+01
      2   0.483100D+01  0.106084D+01  0.138710D+01  0.469045D+01  0.153939D+01
      3   0.106084D+01  0.626087D+00 -0.225407D+01  0.153939D+01  0.373370D+01
               271           272           273           274           275 
      1  -0.317791D+03 -0.541655D+01 -0.261360D+00  0.145992D+03 -0.783722D-01
      2  -0.541655D+01  0.228473D+01 -0.104917D+01 -0.783722D-01  0.402549D+01
      3  -0.261360D+00 -0.104917D+01  0.551495D-01  0.545567D+01 -0.403897D+00
               276           277           278           279           280 
      1   0.545567D+01 -0.272768D+02 -0.659405D+00 -0.194465D+00 -0.980783D+01
      2  -0.403897D+00 -0.659405D+00 -0.222415D+00  0.121900D+01 -0.247842D+01
      3   0.319178D+00 -0.194465D+00  0.121900D+01 -0.207884D+00 -0.196204D+01
               281           282           283           284           285 
      1  -0.247842D+01 -0.196204D+01  0.369296D+01  0.542197D-01  0.369531D+00
      2  -0.479884D+01  0.114368D+01  0.542197D-01  0.192212D+01 -0.123730D+01
      3   0.114368D+01 -0.154214D+01  0.369531D+00 -0.123730D+01  0.163969D+00
               286           287           288           289           290 
      1  -0.787818D+01 -0.160998D+01 -0.239354D+01 -0.301669D+01  0.154976D+01
      2  -0.160998D+01 -0.282542D+01  0.148015D+01  0.154976D+01  0.187038D+01
      3  -0.239354D+01  0.148015D+01 -0.362911D+01 -0.640417D+00 -0.383416D+00
               291           292           293           294           295 
      1  -0.640417D+00 -0.398245D+01  0.227404D+01 -0.257785D+00  0.112020D+01
      2  -0.383416D+00  0.227404D+01  0.613809D+01 -0.103188D+01 -0.310503D+00
      3   0.716307D+00 -0.257785D+00 -0.103188D+01  0.728653D+00  0.541764D+00
               296           297           298           299           300 
      1  -0.310503D+00  0.541764D+00  0.302872D+01 -0.155679D+01 -0.642061D+00
      2  -0.653862D+00  0.149496D+01 -0.155679D+01 -0.187034D+01 -0.384269D+00
      3   0.149496D+01 -0.914171D+00 -0.642061D+00 -0.384269D+00 -0.716631D+00
               301           302           303           304           305 
      1   0.395644D+01 -0.228741D+01 -0.260267D+00  0.112414D+01 -0.312081D+00
      2  -0.228741D+01 -0.613483D+01 -0.103272D+01 -0.312081D+00 -0.653863D+00
      3  -0.260267D+00 -0.103272D+01 -0.728900D+00 -0.542682D+00 -0.149484D+01
               306           307           308           309           310 
      1  -0.542682D+00  0.981932D+01  0.249110D+01 -0.196406D+01 -0.370836D+01
      2  -0.149484D+01  0.249110D+01  0.480041D+01  0.114436D+01 -0.670568D-01
      3  -0.914925D+00 -0.196406D+01  0.114436D+01  0.154275D+01  0.372557D+00
               311           312           313           314           315 
      1  -0.670568D-01  0.372557D+00 -0.786997D+01 -0.161411D+01  0.239619D+01
      2  -0.192563D+01 -0.123800D+01 -0.161411D+01 -0.282398D+01 -0.148035D+01
      3  -0.123800D+01 -0.165464D+00  0.239619D+01 -0.148035D+01 -0.362748D+01
               316           317           318           319           320 
      1  -0.827359D+01 -0.413375D+01 -0.171510D+01 -0.628635D+01 -0.602153D+01
      2  -0.413375D+01 -0.440433D+01 -0.102832D+01 -0.602153D+01 -0.663310D+01
      3  -0.171510D+01 -0.102832D+01 -0.115226D+01 -0.204670D+01 -0.216416D+01
               321           322           323           324           325 
      1  -0.204670D+01 -0.502984D+00  0.505897D+00 -0.706732D+00  0.160616D+01
      2  -0.216416D+01  0.505897D+00 -0.823508D+00 -0.105678D+01 -0.119126D+01
      3  -0.167412D+01 -0.706732D+00 -0.105678D+01 -0.608064D+00 -0.140488D+01
               326           327           328           329           330 
      1  -0.119126D+01 -0.140488D+01 -0.174998D+01 -0.382024D+00  0.952565D-01
      2   0.953018D+00  0.134309D+01 -0.382024D+00 -0.151126D+01 -0.145839D+01
      3   0.134309D+01  0.353462D+01  0.952565D-01 -0.145839D+01 -0.116756D+01
               331           332           333           334           335 
      1   0.167904D+01  0.483209D+00  0.945059D+00 -0.168297D+02 -0.806410D+00
      2   0.483209D+00 -0.141222D+01 -0.188437D+01 -0.806410D+00 -0.104691D+01
      3   0.945059D+00 -0.188437D+01 -0.481569D+01 -0.408197D+01 -0.983667D-01
               336           337           338           339           340 
      1  -0.408197D+01 -0.128435D+01 -0.162653D+01 -0.670217D-02 -0.262815D+01
      2  -0.983667D-01 -0.162653D+01  0.169866D+00 -0.506307D+00 -0.300910D+00
      3  -0.231460D+01 -0.670217D-02 -0.506307D+00  0.143358D+00 -0.206861D+01
               341           342           343           344           345 
      1  -0.300910D+00 -0.206861D+01 -0.654175D+00  0.367474D+00 -0.912863D+00
      2   0.175276D+00  0.532355D-01  0.367474D+00  0.668675D+00 -0.654374D+00
      3   0.532355D-01 -0.106276D+01 -0.912863D+00 -0.654374D+00  0.189492D+01
               346           347           348           349           350 
      1   0.661895D-01 -0.747289D-01  0.508772D+00 -0.247228D+00  0.668877D+00
      2  -0.747289D-01  0.162122D+01 -0.181885D+01  0.668877D+00 -0.153521D+01
      3   0.508772D+00 -0.181885D+01  0.308279D+01 -0.631666D+00  0.230878D+01
               351           352           353           354           355 
      1  -0.631666D+00 -0.597043D+01  0.331227D+01  0.525367D+00  0.560836D+01
      2   0.230878D+01  0.331227D+01 -0.203461D+01 -0.357123D+00 -0.335004D+01
      3  -0.620945D+01  0.525367D+00 -0.357123D+00 -0.926638D+00 -0.384332D+00
               356           357           358           359           360 
      1  -0.335004D+01 -0.384332D+00  0.145945D+01 -0.843498D+00 -0.167631D+01
      2   0.487562D+01  0.515976D+00 -0.843498D+00  0.602100D+00  0.715107D+00
      3   0.515976D+00  0.469840D+00 -0.167631D+01  0.715107D+00  0.509431D+00
               361           362           363           364           365 
      1   0.443915D+01  0.199373D+01 -0.100143D+00  0.144732D+01  0.903135D+00
      2   0.199373D+01  0.133791D+01 -0.369274D+00  0.903135D+00  0.779934D+00
      3  -0.100143D+00 -0.369274D+00  0.255521D+01 -0.211163D+00  0.680563D+00
               366           367           368           369           370 
      1  -0.211163D+00 -0.149192D+01 -0.608335D+00  0.143216D+01 -0.807214D+00
      2   0.680563D+00 -0.608335D+00  0.260163D+00  0.656651D+00 -0.394884D+00
      3   0.901286D+00  0.143216D+01  0.656651D+00 -0.202983D+00  0.974934D+00
               371           372           373           374           375 
      1  -0.394884D+00  0.974934D+00 -0.116142D+01 -0.112706D+01  0.109927D+01
      2  -0.133166D+00 -0.140670D+00 -0.112706D+01 -0.351546D+01  0.298673D+01
      3  -0.140670D+00 -0.430669D+00  0.109927D+01  0.298673D+01 -0.463448D+01
               376           377           378           379           380 
      1   0.136511D+01  0.694442D+00 -0.148759D+01 -0.459135D+01  0.204277D+01
      2   0.694442D+00  0.209707D+01 -0.264339D+01  0.204277D+01 -0.161487D+01
      3  -0.148759D+01 -0.264339D+01  0.506212D+01  0.274515D+01 -0.135934D+01
               381           382           383           384           385 
      1   0.274515D+01  0.223252D+01 -0.241975D+01 -0.223811D+01  0.119761D+01
      2  -0.135934D+01 -0.241975D+01  0.254607D+01  0.241580D+01 -0.118874D+01
      3  -0.303547D+01 -0.223811D+01  0.241580D+01  0.275632D+01 -0.241796D+01
               386           387           388           389           390 
      1  -0.118874D+01 -0.241796D+01 -0.320247D+01 -0.830985D+00 -0.174067D+01
      2   0.140104D+01  0.122739D+01 -0.830985D+00 -0.858387D+00 -0.764129D+00
      3   0.122739D+01  0.304560D+01 -0.174067D+01 -0.764129D+00 -0.134775D+01
               391           392           393           394           395 
      1  -0.539505D+00 -0.134311D+01 -0.861776D+00 -0.373491D+01 -0.141671D+01
      2  -0.134311D+01 -0.138830D+01 -0.604789D+00 -0.141671D+01 -0.107146D+01
      3  -0.861776D+00 -0.604789D+00 -0.118443D+01 -0.178170D+01 -0.120101D+01
               396           397           398           399           400 
      1  -0.178170D+01 -0.451421D+01  0.290038D+01  0.219076D+01  0.103911D+02
      2  -0.120101D+01  0.290038D+01 -0.116578D+01 -0.651351D+00 -0.191887D+01
      3  -0.391727D+01  0.219076D+01 -0.651351D+00 -0.149651D+01 -0.233278D+01
               401           402           403           404           405 
      1  -0.191887D+01 -0.233278D+01  0.425325D+01 -0.701149D+00 -0.267374D+01
      2   0.182900D+01  0.106117D+01 -0.701149D+00  0.923260D+00  0.309111D+00
      3   0.106117D+01  0.124613D+01 -0.267374D+01  0.309111D+00  0.151062D+01
               406           407           408           409           410 
      1  -0.220487D+01 -0.840683D+00  0.905228D+00 -0.252012D+01 -0.297459D+01
      2  -0.840683D+00 -0.303768D+00  0.148493D+00 -0.297459D+01 -0.483969D+01
      3   0.905228D+00  0.148493D+00 -0.441404D+00  0.158029D+01  0.281826D+01
               411           412           413           414           415 
      1   0.158029D+01  0.321861D+01  0.174809D+01 -0.234569D+01 -0.223993D+00
      2   0.281826D+01  0.174809D+01  0.287889D+01 -0.260067D+01 -0.210547D+01
      3  -0.257543D+01 -0.234569D+01 -0.260067D+01  0.305703D+01 -0.921000D+00
               416           417           418           419           420 
      1  -0.210547D+01 -0.921000D+00 -0.129295D+01  0.110759D+01  0.388889D+00
      2   0.309717D+01  0.803228D+00  0.110759D+01 -0.360361D+01 -0.129286D+01
      3   0.803228D+00  0.147685D+01  0.388889D+00 -0.129286D+01 -0.701855D+00
               421           422           423           424           425 
      1  -0.960666D+00  0.701775D+00  0.111619D+01 -0.875826D+01 -0.487588D+01
      2   0.701775D+00 -0.295032D+01 -0.130260D+01 -0.487588D+01 -0.529706D+01
      3   0.111619D+01 -0.130260D+01 -0.130017D+01  0.668240D+00  0.860062D+00
               426           427           428           429           430 
      1   0.668240D+00 -0.419993D+00 -0.361595D+01  0.540125D+00 -0.132685D+01
      2   0.860062D+00 -0.361595D+01 -0.565440D+01  0.475486D+00  0.114245D+00
      3  -0.711885D+00  0.540125D+00  0.475486D+00 -0.698118D+00 -0.636635D+00
               431           432           433           434           435 
      1   0.114245D+00 -0.636635D+00  0.603837D+00 -0.859066D+00  0.963512D+00
      2  -0.195887D+00 -0.940858D+00 -0.859066D+00  0.895920D+00 -0.541505D+00
      3  -0.940858D+00  0.609932D+00  0.963512D+00 -0.541505D+00  0.214941D+01
               436           437           438           439           440 
      1   0.343554D+00  0.274320D+00  0.781250D-01  0.389278D+00 -0.197812D+00
      2   0.274320D+00  0.289082D-01  0.785771D+00 -0.197812D+00  0.218203D+01
      3   0.781250D-01  0.785771D+00 -0.204550D+00  0.905101D+00 -0.198334D+01
               441           442           443           444           445 
      1   0.905101D+00  0.800424D+00  0.393937D+00  0.969806D+00  0.116045D+01
      2  -0.198334D+01  0.393937D+00  0.125803D+00 -0.147097D+00  0.112081D+01
      3   0.621857D+01  0.969806D+00 -0.147097D+00  0.420407D+00  0.109076D+01
               446           447           448           449           450 
      1   0.112081D+01  0.109076D+01  0.136083D+01  0.687944D+00  0.147760D+01
      2   0.352182D+01  0.298719D+01  0.687944D+00  0.209644D+01  0.264007D+01
      3   0.298719D+01  0.463213D+01  0.147760D+01  0.264007D+01  0.505161D+01
               451           452           453           454           455 
      1  -0.443848D+01 -0.199284D+01 -0.104935D+00 -0.144875D+01 -0.906424D+00
      2  -0.199284D+01 -0.133888D+01 -0.372438D+00 -0.906424D+00 -0.780679D+00
      3  -0.104935D+00 -0.372438D+00 -0.255050D+01 -0.214323D+00  0.678864D+00
               456           457           458           459           460 
      1  -0.214323D+00 -0.150591D+01 -0.613469D+00 -0.143237D+01  0.459304D+01
      2   0.678864D+00 -0.613469D+00  0.259755D+00 -0.658178D+00 -0.203683D+01
      3  -0.904487D+00 -0.143237D+01 -0.658178D+00 -0.211374D+00  0.274705D+01
               461           462           463           464           465 
      1  -0.203683D+01  0.274705D+01 -0.222693D+01  0.241222D+01 -0.223879D+01
      2   0.161001D+01 -0.136061D+01  0.241222D+01 -0.253805D+01  0.241602D+01
      3  -0.136061D+01  0.304254D+01 -0.223879D+01  0.241602D+01 -0.276138D+01
               466           467           468           469           470 
      1   0.120900D+01 -0.118974D+01  0.242590D+01  0.220251D+01  0.841441D+00
      2  -0.118974D+01  0.140346D+01 -0.123203D+01  0.841441D+00  0.302619D+00
      3   0.242590D+01 -0.123203D+01  0.306256D+01  0.902855D+00  0.147074D+00
               471           472           473           474           475 
      1   0.902855D+00  0.252450D+01  0.297455D+01  0.158113D+01  0.321951D+01
      2   0.147074D+00  0.297455D+01  0.484108D+01  0.282046D+01  0.174666D+01
      3   0.441018D+00  0.158113D+01  0.282046D+01  0.257654D+01  0.234656D+01
               476           477           478           479           480 
      1   0.174666D+01  0.234656D+01  0.449748D+01 -0.289885D+01  0.219270D+01
      2   0.287820D+01  0.260007D+01 -0.289885D+01  0.116486D+01 -0.654110D+00
      3   0.260007D+01  0.305845D+01  0.219270D+01 -0.654110D+00  0.149913D+01
               481           482           483           484           485 
      1  -0.103797D+02  0.192126D+01 -0.234061D+01  0.425779D+01 -0.705506D+00
      2   0.192126D+01 -0.183137D+01  0.106585D+01 -0.705506D+00  0.926608D+00
      3  -0.234061D+01  0.106585D+01 -0.125272D+01  0.268046D+01 -0.312691D+00
               486           487           488           489           490 
      1   0.268046D+01  0.321355D+01  0.832619D+00 -0.174368D+01  0.540762D+00
      2  -0.312691D+00  0.832619D+00  0.859612D+00 -0.764366D+00  0.134326D+01
      3   0.151962D+01 -0.174368D+01 -0.764366D+00  0.135235D+01 -0.861958D+00
               491           492           493           494           495 
      1   0.134326D+01 -0.861958D+00 -0.374145D+01 -0.141632D+01  0.178369D+01
      2   0.138509D+01 -0.601629D+00 -0.141632D+01 -0.106799D+01  0.119596D+01
      3  -0.601629D+00  0.117982D+01  0.178369D+01  0.119596D+01 -0.391210D+01
               496           497           498           499           500 
      1   0.168436D+02  0.799123D+00 -0.406989D+01  0.128180D+01  0.162772D+01
      2   0.799123D+00  0.104575D+01 -0.951858D-01  0.162772D+01 -0.171488D+00
      3  -0.406989D+01 -0.951858D-01  0.230776D+01 -0.391241D-02 -0.504917D+00
               501           502           503           504           505 
      1  -0.391241D-02 -0.262265D+01 -0.301128D+00  0.206085D+01  0.652217D+00
      2  -0.504917D+00 -0.301128D+00  0.176553D+00 -0.549914D-01 -0.369551D+00
      3  -0.144451D+00  0.206085D+01 -0.549914D-01 -0.105465D+01 -0.910416D+00
               506           507           508           509           510 
      1  -0.369551D+00 -0.910416D+00 -0.731928D-01  0.762938D-01  0.512070D+00
      2  -0.667938D+00 -0.652451D+00  0.762938D-01 -0.162304D+01 -0.182091D+01
      3  -0.652451D+00 -0.189101D+01  0.512070D+00 -0.182091D+01 -0.308331D+01
               511           512           513           514           515 
      1  -0.245731D+00  0.672439D+00  0.636071D+00 -0.160480D+01  0.118847D+01
      2   0.672439D+00 -0.153701D+01 -0.231085D+01  0.118847D+01 -0.952016D+00
      3   0.636071D+00 -0.231085D+01 -0.621143D+01 -0.140150D+01  0.134278D+01
               516           517           518           519           520 
      1  -0.140150D+01  0.174621D+01  0.382347D+00  0.942866D-01  0.168064D+01
      2   0.134278D+01  0.382347D+00  0.151047D+01 -0.145970D+01  0.483159D+00
      3  -0.353581D+01  0.942866D-01 -0.145970D+01  0.117067D+01 -0.941574D+00
               521           522           523           524           525 
      1   0.483159D+00 -0.941574D+00  0.828498D+01  0.413623D+01 -0.171398D+01
      2  -0.141394D+01  0.188856D+01  0.413623D+01  0.440391D+01 -0.102695D+01
      3   0.188856D+01 -0.482961D+01 -0.171398D+01 -0.102695D+01  0.115128D+01
               526           527           528           529           530 
      1   0.628552D+01  0.602024D+01 -0.204488D+01 -0.507188D+00  0.506121D+00
      2   0.602024D+01  0.662328D+01 -0.215953D+01  0.506121D+00 -0.818402D+00
      3  -0.204488D+01 -0.215953D+01  0.167240D+01  0.705411D+00  0.105531D+01
               531           532           533           534           535 
      1   0.705411D+00  0.595251D+01 -0.330826D+01  0.526669D+00 -0.561064D+01
      2   0.105531D+01 -0.330826D+01  0.203308D+01 -0.358773D+00  0.335200D+01
      3  -0.606558D+00  0.526669D+00 -0.358773D+00  0.926581D+00 -0.387611D+00
               536           537           538           539           540 
      1   0.335200D+01 -0.387611D+00  0.148091D+01 -0.842068D+00  0.167668D+01
      2  -0.488119D+01  0.519974D+00 -0.842068D+00  0.607496D+00 -0.717341D+00
      3   0.519974D+00 -0.471369D+00  0.167668D+01 -0.717341D+00  0.513457D+00
               541           542           543           544           545 
      1   0.875695D+01  0.487733D+01  0.670840D+00  0.431021D+00  0.361537D+01
      2   0.487733D+01  0.529746D+01  0.860737D+00  0.361537D+01  0.564561D+01
      3   0.670840D+00  0.860737D+00  0.711736D+00  0.541625D+00  0.475783D+00
               546           547           548           549           550 
      1   0.541625D+00 -0.131587D+01  0.118243D+00  0.637389D+00  0.230425D+00
      2   0.475783D+00  0.118243D+00 -0.191363D+00  0.942343D+00  0.210255D+01
      3   0.698479D+00  0.637389D+00  0.942343D+00  0.610073D+00 -0.920830D+00
               551           552           553           554           555 
      1   0.210255D+01 -0.920830D+00  0.129729D+01 -0.110555D+01  0.389708D+00
      2  -0.309471D+01  0.807089D+00 -0.110555D+01  0.360965D+01 -0.129851D+01
      3   0.807089D+00 -0.147848D+01  0.389708D+00 -0.129851D+01  0.706217D+00
               556           557           558           559           560 
      1  -0.959429D+00  0.702495D+00 -0.111714D+01 -0.609076D+00  0.859125D+00
      2   0.702495D+00 -0.295891D+01  0.130938D+01  0.859125D+00 -0.901878D+00
      3  -0.111714D+01  0.130938D+01 -0.130864D+01  0.965868D+00 -0.543337D+00
               561           562           563           564           565 
      1   0.965868D+00 -0.346118D+00 -0.276875D+00  0.775340D-01  0.395533D+00
      2  -0.543337D+00 -0.276875D+00 -0.263050D-01  0.786760D+00 -0.198301D+00
      3  -0.215345D+01  0.775340D-01  0.786760D+00  0.208935D+00 -0.910102D+00
               566           567 
      1  -0.198301D+00 -0.910102D+00
      2   0.218279D+01  0.198353D+01
      3   0.198353D+01  0.620619D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.977267D+01 -0.682665D+01 -0.208349D+01  0.688054D+01  0.232911D+01
      2  -0.257017D+02 -0.977121D+00  0.166365D+02  0.512758D+01  0.375435D+01
      3  -0.794064D+02 -0.315807D+01 -0.548056D+01  0.548484D+02  0.736584D+00
                 6             7             8             9            10 
      1  -0.381196D+01 -0.137027D+02  0.540746D+01 -0.836352D+01 -0.213232D+02
      2   0.227881D+02  0.303966D+00  0.212758D+02  0.639197D+01  0.456872D+02
      3  -0.575890D+01 -0.864015D+02  0.103469D+02 -0.234895D+02 -0.584119D+02
                11            12            13            14            15 
      1   0.617665D+01  0.139765D+01  0.925382D+01  0.228033D+01 -0.484362D+01
      2   0.517023D+01 -0.402363D+01 -0.396765D+02 -0.153396D+02 -0.230836D+02
      3   0.290766D+02 -0.613017D+01 -0.270815D+01  0.119009D+02  0.100228D+02
                16            17            18            19            20 
      1   0.363105D+02  0.464842D+01  0.518548D+01  0.726706D+02 -0.593285D+01
      2  -0.187857D+02 -0.168876D+02  0.107140D+01 -0.373092D+02  0.438789D+01
      3   0.170461D+03 -0.160839D+02  0.272579D+02  0.296059D+03 -0.658796D+02
                21            22            23            24            25 
      1   0.326366D+01 -0.633385D+02 -0.285531D+01 -0.216733D+01  0.473688D+02
      2   0.466376D+01  0.166926D+03  0.444888D+00  0.318859D+02 -0.548312D+03
      3   0.944788D+00  0.217019D+03 -0.107909D+03 -0.535016D+01 -0.214830D+03
                26            27            28            29            30 
      1   0.661756D+01 -0.191950D+01 -0.177656D+03 -0.101647D+02 -0.694950D+01
      2  -0.135748D+02  0.104494D+02 -0.246270D+03 -0.153900D+02  0.297977D+02
      3  -0.340075D+02 -0.294465D+02 -0.122768D+04 -0.196912D+03 -0.101536D+02
                31            32            33            34            35 
      1   0.166360D+03 -0.848048D+01  0.131293D+02  0.956358D+02  0.103671D+02
      2  -0.157717D+03  0.734079D+01 -0.184022D+02 -0.246420D+03 -0.216522D+02
      3  -0.860450D+03 -0.132860D+03  0.618943D+02  0.115969D+03 -0.199681D+02
                36            37            38            39            40 
      1  -0.552587D+00  0.352709D+02  0.122594D+01  0.404541D+01  0.295259D+02
      2  -0.910435D+01  0.242592D+02  0.434685D+01 -0.624826D+01 -0.155943D+03
      3  -0.286912D+02  0.272542D+03  0.442243D+02 -0.492196D+01  0.515801D+03
                41            42            43            44            45 
      1   0.122833D+02 -0.957329D+01 -0.108869D+03  0.709070D+01 -0.344561D+01
      2  -0.375204D+02 -0.230500D+01  0.597440D+03  0.640284D+02  0.133705D+02
      3   0.810778D+02  0.983227D+01 -0.226197D+03  0.461513D+02  0.428804D+01
                46            47            48            49            50 
      1   0.284317D+02  0.627061D+01 -0.921624D+01  0.260298D+02 -0.781207D+01
      2  -0.169384D+03 -0.297881D+02  0.221644D+02 -0.121936D+03 -0.117452D+02
      3  -0.470294D+01 -0.145186D+02  0.668319D+01 -0.276617D+02 -0.375154D+02
                51            52            53            54            55 
      1  -0.300233D+01 -0.373698D+01  0.292397D+01  0.556741D+01 -0.210954D+02
      2  -0.329313D+01 -0.413265D+02 -0.144976D+02  0.308965D+01 -0.333118D+00
      3  -0.690685D+01 -0.160320D+02 -0.105092D+02  0.160068D+02 -0.108705D+03
                56            57            58            59            60 
      1   0.334608D+01 -0.554847D+01 -0.362995D+02 -0.692393D+01 -0.174211D+01
      2   0.832202D+00  0.215398D+02  0.253436D+03  0.501409D+02  0.271208D+02
      3  -0.182035D+02  0.129489D+02 -0.213237D+03 -0.387108D+02 -0.201542D+02
                61            62            63            64            65 
      1  -0.928255D+01  0.597307D+01  0.536754D+01  0.467444D+03  0.262650D+02
      2  -0.280452D+02  0.775580D+01 -0.174373D+02 -0.180340D+04 -0.165110D+03
      3   0.453975D+02 -0.157094D+02 -0.105961D+02 -0.241515D+03  0.762045D+02
                66            67            68            69            70 
      1   0.138306D+02  0.247883D+03  0.232283D+02  0.256273D-01  0.318974D+03
      2  -0.415440D+02 -0.181044D+04 -0.176600D+03 -0.240027D+02 -0.197518D+04
      3   0.210445D+03  0.182877D+04  0.165005D+03  0.145776D+03  0.408091D+03
                71            72            73            74            75 
      1   0.132303D+02  0.513895D+00 -0.358020D+00  0.244746D+00 -0.859776D+01
      2  -0.151091D+03 -0.933431D+01  0.553539D+01  0.680830D-02  0.805109D+01
      3  -0.210230D+02  0.984105D+02  0.116382D+03  0.423408D+03 -0.194729D+00
                76            77            78            79            80 
      1   0.972312D+00  0.210077D-02 -0.125883D+02 -0.369476D+03 -0.114831D+02
      2  -0.627967D+01 -0.125760D+01  0.704009D+02  0.372699D+04  0.113068D+03
      3  -0.241692D+04 -0.146358D+03  0.117516D+01  0.146009D+02  0.258490D+01
                81            82            83            84            85 
      1   0.462178D-01  0.385226D+03  0.175065D+02  0.455118D+00 -0.200425D+03
      2  -0.565159D+00 -0.186621D+04 -0.180928D+03  0.227450D+02  0.144307D+04
      3  -0.116172D+03  0.161016D+04 -0.564108D+02  0.181901D+03  0.935930D+03
                86            87            88            89            90 
      1  -0.866510D+01 -0.155877D+01 -0.974965D+02 -0.667894D+01  0.187689D+01
      2   0.192752D+03 -0.959432D+01 -0.179206D+03  0.909066D+02 -0.612812D+01
      3  -0.124325D+03 -0.183144D+03  0.113562D+03 -0.383610D+02  0.781512D+01
                91            92            93            94            95 
      1  -0.131080D+03 -0.216397D+01 -0.299326D+01 -0.152263D+03  0.131340D+01
      2   0.255130D+03  0.419494D+02 -0.222676D+02  0.692153D+03  0.129968D+02
      3  -0.599810D+03 -0.305493D+02 -0.521177D+02 -0.104787D+04  0.324777D+03
                96            97            98            99           100 
      1  -0.516277D+01 -0.102085D+03  0.115542D+02 -0.227372D+01  0.163553D+02
      2  -0.146632D+02  0.160408D+03 -0.129184D+02 -0.196380D+01 -0.123369D+03
      3  -0.192597D+02 -0.587209D+03  0.504913D+02 -0.527439D+01  0.798155D+02
               101           102           103           104           105 
      1   0.301209D+01 -0.347042D+01  0.215655D+01 -0.243154D+01 -0.130621D+01
      2  -0.114512D+02 -0.758920D+00 -0.106042D+03  0.170857D+02 -0.314359D+01
      3   0.493911D+02  0.183624D+02 -0.947974D+02 -0.139288D+03 -0.224429D+02
               106           107           108           109           110 
      1   0.383991D+02  0.158048D+02  0.238827D+01  0.255505D+02 -0.552279D+00
      2   0.203309D+03 -0.234051D+02 -0.584288D+01 -0.255364D+02 -0.489669D+01
      3   0.358882D+03 -0.596602D+01  0.132746D+01  0.701599D+02 -0.280078D+02
               111           112           113           114           115 
      1   0.436017D+01 -0.271735D+02  0.412608D+01 -0.490793D+01  0.215379D+02
      2   0.358451D+01  0.455599D+02  0.103169D+02 -0.747474D+00 -0.680610D+02
      3  -0.627956D+01 -0.780572D+02  0.291378D+02 -0.204611D+01  0.336161D+02
               116           117           118           119           120 
      1  -0.486841D+01  0.138779D+02 -0.200659D+02  0.444994D+01 -0.127463D+02
      2  -0.651094D+01  0.121305D+02  0.593447D+02  0.600623D+01  0.138896D+02
      3  -0.210006D+02  0.413384D+00 -0.552177D+02 -0.254406D+02  0.733173D+01
               121           122           123           124           125 
      1  -0.299583D+01 -0.960055D+01  0.604679D+00 -0.117025D+02  0.105205D+02
      2   0.218328D+02  0.126424D+02 -0.945818D+00  0.233521D+02 -0.106715D+01
      3  -0.210364D+02 -0.995308D+01 -0.169595D+02  0.168561D+02 -0.135018D+02
               126           127           128           129           130 
      1   0.154158D+02  0.900496D+01 -0.419552D+01  0.651683D+01  0.169119D+01
      2  -0.142073D+02  0.164127D+02  0.800282D+01 -0.136758D+02 -0.814091D+02
      3   0.140257D+02 -0.203111D+02  0.104101D+02 -0.117773D+02  0.108453D+03
               131           132           133           134           135 
      1   0.327172D+01 -0.163791D+01  0.373544D+01  0.338708D+01 -0.704255D+01
      2  -0.284988D+02 -0.257831D+02 -0.762528D+01 -0.204882D+02  0.166097D+02
      3   0.215610D+02  0.255185D+02 -0.504429D+02  0.201480D+02  0.158623D+02
               136           137           138           139           140 
      1   0.109307D+02 -0.306433D+01  0.719261D+01 -0.944947D+01 -0.345505D-02
      2  -0.144235D+02 -0.388545D+01 -0.220899D+01 -0.882317D+01 -0.162133D+02
      3  -0.485131D+02 -0.247056D+01 -0.874056D+01  0.854822D+01  0.667369D+01
               141           142           143           144           145 
      1  -0.170235D+02  0.574474D+01 -0.660711D+01 -0.802431D+01 -0.467180D+03
      2  -0.154799D+02 -0.158834D+02 -0.145426D+02  0.136105D+02  0.180161D+04
      3   0.186997D+02  0.723765D+01  0.167026D+02  0.812679D+01 -0.169057D+03
               146           147           148           149           150 
      1  -0.266748D+02  0.138967D+02 -0.248365D+03 -0.232681D+02  0.826685D-01
      2   0.166599D+03 -0.418063D+02  0.181574D+04  0.177161D+03 -0.244706D+02
      3   0.743337D+02 -0.210504D+03  0.188488D+04  0.161937D+03 -0.146797D+03
               151           152           153           154           155 
      1   0.319698D+03  0.133441D+02 -0.570808D+00  0.178009D+03  0.104477D+02
      2  -0.197972D+04 -0.152028D+03  0.988744D+01  0.242189D+03  0.142946D+02
      3  -0.438056D+03  0.200814D+02  0.989232D+02 -0.122120D+04 -0.198912D+03
               156           157           158           159           160 
      1  -0.694963D+01 -0.166359D+03  0.799558D+01  0.131283D+02  0.952560D+02
      2   0.296177D+02  0.153777D+03 -0.646567D+01 -0.182365D+02 -0.245583D+03
      3   0.108973D+02 -0.843207D+03 -0.132817D+03 -0.616301D+02 -0.116322D+03
               161           162           163           164           165 
      1   0.104174D+02  0.511810D+00 -0.352422D+02 -0.122058D+01  0.404691D+01
      2  -0.215074D+02  0.917201D+01 -0.242412D+02 -0.437535D+01 -0.620721D+01
      3   0.204616D+02 -0.285822D+02  0.275564D+03  0.445361D+02  0.483484D+01
               166           167           168           169           170 
      1  -0.295042D+02 -0.122795D+02 -0.954658D+01 -0.108717D+03  0.707994D+01
      2   0.157180D+03  0.376630D+02 -0.238744D+01  0.598120D+03  0.640353D+02
      3   0.514051D+03  0.815523D+02 -0.999295D+01  0.227363D+03 -0.457931D+02
               171           172           173           174           175 
      1   0.351564D+01  0.210413D+02 -0.332315D+01 -0.553600D+01  0.361244D+02
      2  -0.136186D+02  0.515181D+00 -0.862716D+00  0.214702D+02 -0.253424D+03
      3   0.426150D+01 -0.107933D+03 -0.183595D+02 -0.128902D+02 -0.211896D+03
               176           177           178           179           180 
      1   0.688538D+01 -0.177526D+01 -0.923839D+01  0.596340D+01 -0.538920D+01
      2  -0.501747D+02  0.272092D+02 -0.282343D+02  0.781956D+01  0.175008D+02
      3  -0.387010D+02  0.201683D+02 -0.444736D+02  0.155727D+02 -0.106207D+02
               181           182           183           184           185 
      1   0.212771D+02 -0.615956D+01  0.140184D+01 -0.906136D+01 -0.221954D+01
      2  -0.454732D+02 -0.513679D+01 -0.398193D+01  0.394221D+02  0.153108D+02
      3  -0.591629D+02  0.288135D+02  0.611642D+01 -0.335479D+01  0.116745D+02
               186           187           188           189           190 
      1  -0.483463D+01  0.363725D+02  0.470051D+01 -0.519099D+01 -0.728651D+02
      2  -0.231113D+02 -0.181032D+02 -0.169110D+02 -0.114293D+01  0.370940D+02
      3  -0.994995D+01 -0.171597D+03  0.158735D+02  0.272666D+02  0.297133D+03
               191           192           193           194           195 
      1   0.568790D+01  0.326018D+01  0.631913D+02  0.291464D+01 -0.217017D+01
      2  -0.435595D+01  0.471484D+01 -0.167737D+03 -0.181757D+01  0.319061D+02
      3  -0.645327D+02 -0.979029D+00  0.218873D+03 -0.106728D+03  0.540084D+01
               196           197           198           199           200 
      1   0.470723D+02  0.667422D+01  0.190270D+01  0.984053D+01  0.687476D+01
      2  -0.549170D+03 -0.135755D+02 -0.102212D+02  0.258941D+02  0.977472D+00
      3   0.214562D+03  0.336052D+02 -0.294803D+02 -0.801267D+02 -0.327058D+01
               201           202           203           204           205 
      1  -0.210475D+01 -0.690027D+01 -0.233403D+01 -0.380786D+01 -0.137122D+02
      2   0.166162D+02 -0.540541D+01 -0.380525D+01  0.227923D+02 -0.156890D-01
      3   0.552212D+01  0.552910D+02  0.872061D+00  0.573003D+01  0.863952D+02
               206           207           208           209           210 
      1   0.538038D+01  0.837497D+01 -0.283447D+02 -0.626411D+01 -0.919078D+01
      2   0.212509D+02 -0.634573D+01  0.169176D+03  0.297223D+02  0.220881D+02
      3  -0.101467D+02 -0.234763D+02 -0.361205D+01 -0.145221D+02 -0.669656D+01
               211           212           213           214           215 
      1  -0.260440D+02  0.779884D+01 -0.301440D+01 -0.371659D+01  0.289275D+01
      2   0.122205D+03  0.117204D+02 -0.330602D+01 -0.415429D+02 -0.144199D+02
      3  -0.271184D+02 -0.374566D+02  0.691177D+01  0.148216D+02  0.105207D+02
               216           217           218           219           220 
      1  -0.560943D+01 -0.109292D+02  0.309739D+01  0.714116D+01  0.953423D+01
      2  -0.300435D+01  0.144507D+02  0.394992D+01 -0.215083D+01  0.882846D+01
      3   0.159643D+02 -0.480384D+02 -0.244867D+01  0.870675D+01  0.875435D+01
               221           222           223           224           225 
      1  -0.424306D-01 -0.170182D+02  0.566835D+01 -0.660654D+01  0.807161D+01
      2   0.161792D+02 -0.155139D+02 -0.158352D+02 -0.145580D+02 -0.136081D+02
      3   0.654222D+01 -0.187068D+02 -0.728191D+01 -0.167012D+02  0.819641D+01
               226           227           228           229           230 
      1  -0.900911D+01  0.417762D+01  0.649390D+01 -0.166242D+01 -0.325774D+01
      2  -0.165804D+02 -0.797725D+01 -0.135943D+02  0.815347D+02  0.284857D+02
      3  -0.203075D+02  0.104484D+02  0.117472D+02  0.107880D+03  0.215772D+02
               231           232           233           234           235 
      1  -0.158651D+01  0.371683D+01  0.341498D+01  0.706864D+01  0.201126D+02
      2  -0.258578D+02 -0.763700D+01 -0.205435D+02 -0.166536D+02 -0.593891D+02
      3  -0.254766D+02  0.499623D+02 -0.200198D+02  0.159262D+02 -0.549315D+02
               236           237           238           239           240 
      1  -0.442087D+01 -0.127191D+02  0.303540D+01  0.960224D+01  0.564339D+00
      2  -0.605885D+01  0.138638D+02 -0.219974D+02 -0.126416D+02 -0.900817D+00
      3  -0.254932D+02 -0.733375D+01 -0.220287D+02 -0.996190D+01  0.169431D+02
               241           242           243           244           245 
      1  -0.116457D+02  0.104818D+02 -0.154790D+02  0.131029D+03  0.240506D+01
      2   0.231782D+02 -0.101670D+01  0.142521D+02 -0.253327D+03 -0.407695D+02
      3  -0.163369D+02  0.134263D+02  0.139427D+02 -0.608656D+03 -0.342086D+02
               246           247           248           249           250 
      1  -0.297779D+01  0.152190D+03 -0.961317D+00 -0.520648D+01 -0.102373D+03
      2  -0.223232D+02 -0.691097D+03 -0.126926D+02 -0.145383D+02  0.159548D+03
      3   0.519654D+02 -0.106779D+04  0.323704D+03  0.196717D+02  0.593717D+03
               251           252           253           254           255 
      1   0.115461D+02  0.228866D+01 -0.164446D+02 -0.300396D+01 -0.346968D+01
      2  -0.128330D+02  0.196785D+01  0.123294D+03  0.113918D+02 -0.792572D+00
      3  -0.498549D+02 -0.535815D+01  0.842258D+02  0.491361D+02 -0.183942D+02
               256           257           258           259           260 
      1  -0.205995D+01  0.251511D+01 -0.129736D+01  0.382333D+02  0.157612D+02
      2   0.106776D+03 -0.168918D+02 -0.319047D+01  0.204423D+03 -0.232923D+02
      3  -0.943574D+02 -0.139353D+03  0.223680D+02 -0.357975D+03  0.618500D+01
               261           262           263           264           265 
      1  -0.239697D+01 -0.254807D+02  0.565906D+00  0.436956D+01  0.270533D+02
      2   0.573939D+01  0.253297D+02  0.490459D+01  0.359227D+01 -0.453293D+02
      3   0.140050D+01  0.715969D+02 -0.281296D+02  0.624480D+01 -0.798050D+02
               266           267           268           269           270 
      1  -0.416146D+01 -0.491323D+01  0.214626D+02 -0.487864D+01 -0.138777D+02
      2  -0.103136D+02 -0.747481D+00 -0.678574D+02 -0.649775D+01 -0.121206D+02
      3   0.293635D+02  0.209317D+01 -0.356491D+02  0.210799D+02  0.451121D+00
               271           272           273           274           275 
      1  -0.385320D+03 -0.177644D+02  0.519984D+00  0.200093D+03  0.873437D+01
      2   0.186461D+04  0.179461D+03  0.223383D+02 -0.143991D+04 -0.192018D+03
      3   0.167915D+04 -0.555731D+02 -0.182172D+03  0.867305D+03 -0.122080D+03
               276           277           278           279           280 
      1  -0.159143D+01 -0.966146D+02 -0.666468D+01 -0.185795D+01 -0.215287D+01
      2  -0.920695D+01 -0.181201D+03  0.901117D+02  0.614241D+01  0.137275D+03
      3   0.182390D+03 -0.106074D+03  0.355611D+02  0.806537D+01 -0.499307D+02
               281           282           283           284           285 
      1   0.170864D+01  0.380121D+01  0.260251D+00  0.206482D+01 -0.515381D+00
      2   0.735360D+00  0.471499D+01 -0.914819D+02  0.387676D+01 -0.714040D+00
      3  -0.460178D+02 -0.451941D+01  0.669543D+02  0.179375D+02 -0.175696D+01
               286           287           288           289           290 
      1  -0.548202D+01 -0.130401D+01  0.109202D+02 -0.363084D+01 -0.746078D+00
      2   0.997377D+02  0.472854D+01  0.102271D+02  0.628745D+01  0.535867D+01
      3   0.873637D+01 -0.259849D+02 -0.691104D+01  0.244649D+02  0.209556D+02
               291           292           293           294           295 
      1  -0.336353D+01 -0.266514D+01 -0.160434D+01 -0.516286D+01 -0.241319D+01
      2  -0.131281D+00 -0.202936D+02  0.668402D+01 -0.570071D+00 -0.148021D+02
      3  -0.391214D+01  0.828409D+02  0.420668D+02 -0.689819D+01  0.335465D+01
               296           297           298           299           300 
      1  -0.337003D+01  0.274118D+01  0.364795D+01  0.728662D+00 -0.336317D+01
      2  -0.281354D+01  0.244041D+01 -0.642055D+01 -0.537181D+01 -0.132779D+00
      3  -0.624922D+01  0.758227D+01  0.244177D+02  0.208465D+02  0.392847D+01
               301           302           303           304           305 
      1   0.264454D+01  0.155009D+01 -0.515836D+01 -0.241662D+01 -0.338086D+01
      2   0.200385D+02 -0.670178D+01 -0.580300D+00 -0.148174D+02 -0.281392D+01
      3   0.830768D+02  0.419087D+02  0.690016D+01 -0.331096D+01  0.621803D+01
               306           307           308           309           310 
      1  -0.274329D+01  0.219056D+01 -0.171612D+01  0.379605D+01 -0.252873D+00
      2  -0.243681D+01 -0.136993D+03 -0.641829D+00  0.476265D+01  0.911983D+02
      3   0.757138D+01 -0.527675D+02 -0.459992D+02  0.452990D+01  0.689248D+02
               311           312           313           314           315 
      1  -0.208281D+01 -0.514942D+00 -0.552007D+01 -0.130683D+01 -0.109108D+02
      2  -0.393647D+01 -0.749772D+00  0.995937D+02  0.468059D+01 -0.102492D+02
      3   0.178829D+02  0.174714D+01 -0.609772D+01  0.259394D+02 -0.692836D+01
               316           317           318           319           320 
      1  -0.386331D+01  0.508115D+01 -0.298469D+01  0.499809D+01  0.363782D+01
      2   0.910427D+01  0.405930D+00  0.537296D+01 -0.137888D+02  0.267688D+00
      3  -0.627629D+01 -0.184926D+02 -0.842148D+00 -0.150814D+02 -0.167969D+02
               321           322           323           324           325 
      1  -0.428549D+01 -0.899714D+01 -0.144822D+00  0.531784D+00  0.148400D+00
      2   0.596697D+01  0.534905D+02  0.114810D+02  0.244338D+01  0.517669D+01
      3  -0.502927D+01 -0.124035D+02 -0.135536D+02 -0.485116D+01 -0.699085D+01
               326           327           328           329           330 
      1   0.512269D+00  0.750478D+01 -0.184003D+01 -0.150119D+01 -0.156751D+01
      2  -0.964790D+01 -0.191212D+02  0.575231D+01  0.827891D+01  0.594954D+01
      3   0.762673D+01  0.108003D+02  0.159776D+02 -0.528616D+01 -0.725562D+01
               331           332           333           334           335 
      1   0.612909D+01  0.282205D-01 -0.837875D+01 -0.229231D+01  0.353404D+01
      2  -0.246129D+02  0.739354D+01  0.258975D+02 -0.859850D+00 -0.603694D-02
      3  -0.324206D+01 -0.585854D+01 -0.129016D+02 -0.779074D+01 -0.994301D+01
               336           337           338           339           340 
      1  -0.152529D+01  0.698723D+01  0.885986D+00 -0.121230D+01  0.400798D+01
      2   0.109570D+02 -0.246366D+01  0.851632D+00 -0.747098D+00  0.156974D+02
      3   0.108789D+01 -0.251710D+02  0.425280D+01 -0.134747D+01 -0.366496D+02
               341           342           343           344           345 
      1   0.576574D+00 -0.180954D+01 -0.223421D+01 -0.274888D+01  0.153769D+01
      2   0.495516D+00  0.316964D+01  0.897294D+01  0.473959D+01 -0.115677D+02
      3   0.178899D+01  0.109548D+01  0.111566D+02  0.343041D+01 -0.464864D+01
               346           347           348           349           350 
      1  -0.133027D+01 -0.577289D+01  0.344892D+01 -0.338656D+01  0.553120D+01
      2  -0.429385D+01  0.104372D+02 -0.174391D+02 -0.203317D+01 -0.132633D+02
      3   0.107607D+02  0.114572D+02 -0.104046D+02  0.101779D+02 -0.914422D+01
               351           352           353           354           355 
      1  -0.646281D+01 -0.142929D+01  0.215880D+00  0.192398D+01  0.666773D+01
      2   0.347564D+02 -0.235672D+01  0.906517D+00  0.587453D+01 -0.193745D+01
      3   0.142090D+02  0.529940D+01 -0.110856D+02 -0.241019D+01 -0.228596D+02
               356           357           358           359           360 
      1  -0.126668D+01 -0.259846D+01 -0.711050D+01  0.177084D+01 -0.125617D+01
      2  -0.123533D+01 -0.400142D+01 -0.302436D+00 -0.417205D+01 -0.210286D+01
      3   0.299282D+02  0.264771D+01  0.375271D+02  0.293824D+01  0.431605D+01
               361           362           363           364           365 
      1   0.929415D+01  0.346844D+01  0.316501D+00  0.407301D+01  0.344710D+01
      2  -0.186556D+02 -0.551283D+01 -0.859803D+01 -0.112266D+02 -0.699607D+01
      3   0.622682D+01  0.562141D+01 -0.294348D+01  0.115053D+02  0.397072D+01
               366           367           368           369           370 
      1   0.760395D+00  0.119460D+01  0.233920D+01  0.109242D+01  0.187984D+01
      2  -0.267476D+01 -0.512038D+01 -0.207654D+01 -0.243165D+01 -0.684170D+01
      3   0.213710D+01 -0.181723D+02 -0.680567D+00  0.416161D+01 -0.110546D+02
               371           372           373           374           375 
      1  -0.660103D+00 -0.829004D+00 -0.174596D+01 -0.120307D+02  0.442117D+01
      2   0.147653D+01  0.691288D+00  0.438459D+00 -0.119157D+02  0.198036D+02
      3  -0.153431D+01 -0.109977D+01 -0.115788D+02 -0.167287D+02  0.131337D+02
               376           377           378           379           380 
      1   0.112173D+01  0.784837D+01 -0.446658D+01  0.777386D+01 -0.677199D+01
      2  -0.508487D+00  0.105861D+02 -0.207044D+02 -0.154486D+01  0.100801D+01
      3   0.639884D+01  0.895178D+01 -0.113589D+02  0.850760D+01 -0.997514D+01
               381           382           383           384           385 
      1  -0.514542D+01 -0.848463D+01  0.106054D+02  0.715591D+01 -0.534540D+01
      2   0.957364D+01  0.388494D+01 -0.600807D+01 -0.793938D+01  0.707395D+01
      3  -0.795123D+01 -0.214894D+01  0.153769D+02  0.121416D+02  0.354486D+01
               386           387           388           389           390 
      1   0.617091D+01  0.521041D+01 -0.503043D+01 -0.164382D+01 -0.347704D+01
      2  -0.258121D+01 -0.880290D+01  0.130656D+02  0.577468D+01  0.122790D+02
      3   0.895503D+01  0.697279D+01  0.100261D+02 -0.399249D+01 -0.186179D+01
               391           392           393           394           395 
      1  -0.283097D+01 -0.178908D+01 -0.407263D+01 -0.316542D+01 -0.165851D+01
      2   0.323137D+01  0.518087D+01  0.102885D+02  0.104103D+02  0.904382D+01
      3  -0.564782D+01 -0.767321D+01 -0.353185D+01 -0.909850D+01 -0.729297D+01
               396           397           398           399           400 
      1  -0.102007D+02  0.907527D+01 -0.291009D+01 -0.256556D+01 -0.406884D+01
      2   0.339955D+02 -0.218292D+02 -0.607662D+00  0.983490D+01 -0.155147D+02
      3  -0.566158D+01  0.141560D+01 -0.173812D+02 -0.899227D+01 -0.364502D+02
               401           402           403           404           405 
      1   0.480567D+01  0.179111D+01 -0.543821D+01  0.246564D+01  0.228738D+01
      2  -0.670436D+01 -0.581729D+01  0.787958D+01 -0.141614D+01 -0.659808D+01
      3   0.166479D+02  0.115723D+02 -0.409943D+01  0.954463D+01  0.647227D+01
               406           407           408           409           410 
      1   0.176556D+01 -0.240730D+00 -0.779108D+00 -0.566284D+00 -0.277910D+01
      2   0.431689D+00  0.433855D-01  0.250530D+01 -0.679413D+01 -0.161300D+02
      3  -0.122358D+02 -0.232465D+01  0.253875D+00 -0.221307D+02 -0.310232D+02
               411           412           413           414           415 
      1  -0.289898D+01 -0.247107D+01  0.111311D+01  0.267878D+01 -0.692234D+01
      2   0.168622D+02  0.976392D+01  0.154333D+02 -0.178041D+02  0.129780D+02
      3   0.172950D+02  0.142425D+02  0.190987D+02 -0.147150D+02 -0.110270D+02
               416           417           418           419           420 
      1   0.516339D+01  0.756932D+01  0.499591D+01 -0.736009D+01 -0.543635D+01
      2  -0.254149D+00 -0.294640D+01 -0.418208D+00  0.345197D+01  0.149590D+01
      3   0.197520D+02  0.832889D+01  0.349848D+01 -0.195726D+02 -0.709024D+01
               421           422           423           424           425 
      1   0.620446D+01 -0.546592D+01 -0.663517D+01 -0.383433D+01 -0.105313D+01
      2  -0.121976D+02  0.390859D+01  0.291905D+01  0.134064D+02  0.241568D+01
      3   0.785945D+01 -0.145358D+02 -0.104102D+02  0.140406D+02 -0.584052D+01
               426           427           428           429           430 
      1  -0.367972D+01  0.149552D+01 -0.264089D+01 -0.353633D+01 -0.391211D+01
      2   0.316496D+01 -0.598208D+01  0.154552D+01  0.298326D+01  0.813691D+01
      3   0.128689D+01 -0.247365D+02 -0.113700D+02 -0.105451D+01  0.898900D+01
               431           432           433           434           435 
      1  -0.202051D+01  0.153274D+01  0.457343D+01 -0.738985D+00  0.789659D+01
      2   0.389139D+01 -0.155901D+01 -0.147081D+02  0.136112D+01 -0.739137D+01
      3  -0.166925D+01 -0.169052D+01 -0.137437D+01  0.713239D+01 -0.659566D+01
               436           437           438           439           440 
      1   0.781958D+00  0.269721D+01 -0.179588D+00  0.222079D+01 -0.201150D+01
      2  -0.212973D+01 -0.234487D+01  0.999891D+00 -0.502352D+01  0.667132D+01
      3   0.167812D+01 -0.574680D+00  0.280379D+01  0.115967D+01  0.974662D+01
               441           442           443           444           445 
      1   0.234111D+02 -0.188751D+01  0.638086D+00 -0.840412D+00  0.172327D+01
      2  -0.205237D+02  0.686918D+01 -0.150972D+01  0.654148D+00 -0.444896D+00
      3  -0.146282D+02 -0.110327D+02 -0.149399D+01  0.112787D+01 -0.116145D+02
               446           447           448           449           450 
      1   0.120622D+02  0.442056D+01  0.110715D+01  0.785246D+01  0.446122D+01
      2   0.119300D+02  0.197993D+02 -0.522632D+00  0.105831D+02  0.206652D+02
      3  -0.167498D+02 -0.131467D+02 -0.639036D+01 -0.893371D+01 -0.113594D+02
               451           452           453           454           455 
      1  -0.929021D+01 -0.345606D+01  0.300846D+00 -0.408634D+01 -0.344371D+01
      2   0.186849D+02  0.547773D+01 -0.854627D+01  0.112358D+02  0.698429D+01
      3   0.623339D+01  0.565992D+01  0.296637D+01  0.117126D+02  0.395684D+01
               456           457           458           459           460 
      1   0.751812D+00  0.118059D+01  0.232856D+01 -0.109637D+01 -0.776081D+01
      2  -0.267715D+01 -0.512336D+01 -0.207584D+01  0.239522D+01  0.155892D+01
      3  -0.212682D+01  0.182123D+02  0.671119D+00  0.416741D+01  0.857152D+01
               461           462           463           464           465 
      1   0.676736D+01 -0.515698D+01  0.846540D+01 -0.105768D+02  0.716448D+01
      2  -0.103357D+01  0.958820D+01 -0.390691D+01  0.601964D+01 -0.794659D+01
      3  -0.993913D+01  0.794022D+01 -0.197688D+01  0.153143D+02 -0.121251D+02
               466           467           468           469           470 
      1  -0.536395D+01  0.618662D+01 -0.523347D+01 -0.175359D+01  0.250355D+00
      2   0.709140D+01 -0.259530D+01  0.885552D+01 -0.391774D+00 -0.546146D-01
      3  -0.369034D+01 -0.895868D+01  0.698174D+01 -0.122230D+02 -0.228939D+01
               471           472           473           474           475 
      1  -0.777892D+00  0.576852D+00  0.280579D+01 -0.288383D+01 -0.247147D+01
      2   0.250622D+01  0.681119D+01  0.161387D+02  0.168637D+02  0.979073D+01
      3  -0.251668D+00 -0.222025D+02 -0.310428D+02 -0.173177D+02 -0.142479D+02
               476           477           478           479           480 
      1   0.113097D+01 -0.266687D+01 -0.910123D+01  0.291966D+01 -0.257406D+01
      2   0.154249D+02  0.178038D+02  0.218701D+02  0.585097D+00  0.983943D+01
      3  -0.191036D+02 -0.147251D+02  0.988118D+00 -0.173377D+02  0.901103D+01
               481           482           483           484           485 
      1   0.408139D+01 -0.482631D+01  0.180841D+01 -0.546170D+01  0.248161D+01
      2   0.154484D+02  0.672492D+01 -0.584586D+01  0.794201D+01 -0.143503D+01
      3  -0.363822D+02  0.166604D+02 -0.116035D+02  0.401774D+01 -0.957911D+01
               486           487           488           489           490 
      1  -0.230329D+01  0.503979D+01  0.164269D+01 -0.348632D+01  0.283100D+01
      2   0.664465D+01 -0.131200D+02 -0.577400D+01  0.123245D+02 -0.324635D+01
      3   0.649682D+01  0.101136D+02 -0.401760D+01  0.186616D+01 -0.565981D+01
               491           492           493           494           495 
      1   0.178176D+01 -0.405831D+01 -0.316881D+01 -0.165166D+01  0.101785D+02
      2  -0.516024D+01  0.102558D+02  0.104330D+02  0.901222D+01 -0.339711D+02
      3  -0.766879D+01  0.351136D+01  0.915131D+01  0.727506D+01 -0.562901D+01
               496           497           498           499           500 
      1   0.228588D+01 -0.351998D+01 -0.152173D+01 -0.696459D+01 -0.857382D+00
      2   0.903135D+00  0.234466D-02  0.109538D+02  0.253980D+01 -0.850889D+00
      3  -0.797666D+01 -0.994586D+01 -0.108105D+01 -0.250198D+02  0.431363D+01
               501           502           503           504           505 
      1  -0.121421D+01  0.400338D+01  0.551023D+00  0.180493D+01  0.222990D+01
      2  -0.743846D+00  0.155726D+02  0.484758D+00 -0.314203D+01 -0.895418D+01
      3   0.134228D+01  0.366265D+02 -0.187519D+01  0.108787D+01  0.110245D+02
               506           507           508           509           510 
      1   0.273799D+01  0.152793D+01  0.132288D+01  0.576589D+01  0.344381D+01
      2  -0.473023D+01 -0.115442D+02  0.427425D+01 -0.104474D+02 -0.174485D+02
      3   0.341748D+01  0.463426D+01  0.109307D+02  0.114559D+02  0.104146D+02
               511           512           513           514           515 
      1  -0.338580D+01  0.553988D+01  0.644966D+01 -0.159584D+00 -0.516630D+00
      2  -0.198003D+01 -0.132784D+02 -0.347716D+02 -0.514854D+01  0.965817D+01
      3  -0.100792D+02  0.916621D+01  0.142172D+02 -0.678051D+01  0.761971D+01
               516           517           518           519           520 
      1   0.750212D+01  0.184635D+01  0.150198D+01 -0.157156D+01  0.612157D+01
      2  -0.191333D+02 -0.574767D+01 -0.828161D+01  0.596857D+01 -0.246230D+02
      3  -0.108056D+02  0.157856D+02 -0.528289D+01  0.726547D+01  0.341947D+01
               521           522           523           524           525 
      1   0.282710D-01  0.839802D+01  0.385780D+01 -0.508090D+01 -0.298271D+01
      2   0.739842D+01 -0.259708D+02 -0.916138D+01 -0.429080D+00  0.537898D+01
      3   0.584379D+01 -0.129407D+02 -0.658630D+01 -0.185499D+02  0.856685D+00
               526           527           528           529           530 
      1  -0.501047D+01 -0.364013D+01 -0.428079D+01 -0.898358D+01 -0.151912D+00
      2   0.138472D+02 -0.229035D+00  0.595805D+01  0.533959D+02  0.114973D+02
      3  -0.151334D+02 -0.167859D+02  0.503076D+01  0.130839D+02  0.135237D+02
               531           532           533           534           535 
      1  -0.533343D+00  0.140974D+01 -0.199921D+00  0.192501D+01 -0.668721D+01
      2  -0.244763D+01  0.243596D+01 -0.927065D+00  0.586822D+01  0.202620D+01
      3  -0.486125D+01  0.511067D+01 -0.110324D+02  0.242022D+01 -0.226686D+02
               536           537           538           539           540 
      1   0.126679D+01 -0.260029D+01 -0.711664D+01  0.178613D+01  0.126005D+01
      2   0.124877D+01 -0.400571D+01 -0.165768D+00 -0.418699D+01  0.212118D+01
      3   0.299561D+02 -0.266750D+01 -0.374183D+02 -0.291960D+01  0.432488D+01
               541           542           543           544           545 
      1   0.380819D+01  0.104003D+01 -0.368143D+01 -0.151633D+01  0.262830D+01
      2  -0.133565D+02 -0.240328D+01  0.316621D+01  0.600566D+01 -0.154335D+01
      3   0.139512D+02 -0.588941D+01 -0.128448D+01 -0.250418D+02 -0.113502D+02
               546           547           548           549           550 
      1  -0.353585D+01 -0.390817D+01 -0.202015D+01 -0.153683D+01  0.691866D+01
      2   0.298369D+01  0.813316D+01  0.389321D+01  0.156053D+01 -0.129845D+02
      3   0.106412D+01 -0.908256D+01  0.168365D+01 -0.170049D+01 -0.107944D+02
               551           552           553           554           555 
      1  -0.516871D+01  0.757597D+01 -0.498269D+01  0.737906D+01 -0.545762D+01
      2   0.279667D+00 -0.295645D+01  0.404003D+00 -0.348223D+01  0.151518D+01
      3   0.197407D+02 -0.835188D+01  0.368903D+01 -0.196081D+02  0.713572D+01
               556           557           558           559           560 
      1   0.620830D+01 -0.549261D+01  0.667105D+01 -0.458180D+01  0.741411D+00
      2  -0.122213D+02  0.393695D+01 -0.295145D+01  0.147076D+02 -0.136508D+01
      3  -0.792790D+01  0.145909D+02 -0.104560D+02 -0.124422D+01  0.716932D+01
               561           562           563           564           565 
      1   0.791699D+01 -0.785246D+00 -0.269682D+01 -0.197781D+00  0.224447D+01
      2  -0.740617D+01  0.213143D+01  0.234697D+01  0.101490D+01 -0.501643D+01
      3   0.662650D+01  0.164940D+01 -0.589830D+00 -0.281288D+01 -0.120768D+01
               566           567 
      1  -0.201648D+01 -0.233760D+02
      2   0.667341D+01  0.204918D+02
      3  -0.974304D+01 -0.146728D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112928D+03 -0.140367D+02  0.304477D+02 -0.160850D+02  0.270413D+02
      2   0.669726D+02  0.167062D+02 -0.107976D+02  0.876444D+01 -0.166557D+02
      3   0.459555D+02 -0.266951D+01 -0.196501D+02  0.732061D+01 -0.103856D+02
      4  -0.170726D+02  0.131349D+02  0.646878D+01  0.238126D+02 -0.963402D+01
      5   0.482835D+02  0.868081D+01  0.114317D+02 -0.216042D+01 -0.844160D+00
      6   0.468587D+00 -0.471179D+01 -0.213259D+01 -0.365011D+01  0.266707D+01
                 6             7             8             9            10 
      1   0.107730D+02  0.124603D+01  0.574849D+01  0.242048D+02 -0.204773D+02
      2   0.426396D+01  0.602093D+01  0.694205D+01 -0.810361D+01  0.152597D+02
      3  -0.150369D+02 -0.726696D+01 -0.126905D+02 -0.161012D+02  0.521753D+01
      4   0.410875D+01 -0.103372D+02 -0.334374D+01  0.317583D+02  0.118845D+02
      5   0.325624D+02  0.274255D+02  0.328944D+02 -0.201922D+01 -0.800373D+01
      6  -0.923762D-01  0.313687D+01  0.252384D+01 -0.112190D+02 -0.219001D+01
                11            12            13            14            15 
      1   0.672024D+01 -0.663395D+01  0.177689D+02 -0.420071D+02  0.100019D+02
      2   0.496785D+00  0.349200D+01 -0.927008D+00  0.243156D+02 -0.813220D+01
      3  -0.721702D+01  0.314195D+01 -0.168419D+02  0.176915D+02 -0.186970D+01
      4  -0.319702D+02  0.773021D+01 -0.674282D+02  0.366788D+01 -0.219792D+02
      5   0.116145D+02 -0.197345D+02  0.212892D+02 -0.190976D+02 -0.432291D+02
      6   0.282385D+01 -0.192383D+01  0.953162D+00 -0.736179D+00 -0.800318D+01
                16            17            18            19            20 
      1  -0.129784D+02  0.851706D+01 -0.332241D+02  0.104543D+03  0.571386D+02
      2   0.155034D+01 -0.814618D+01  0.229469D+02 -0.517855D+02 -0.447483D+02
      3   0.114280D+02 -0.370882D+00  0.102772D+02 -0.527571D+02 -0.123902D+02
      4   0.145260D+02 -0.127333D+02 -0.286873D+02  0.538919D+02  0.819036D+02
      5  -0.584044D+02 -0.331208D+02  0.420447D+01  0.101009D+01  0.234573D+01
      6  -0.725862D+01 -0.609611D+01  0.527258D+00  0.244766D+02 -0.504149D+01
                21            22            23            24            25 
      1   0.453160D-01  0.687210D+02  0.338871D+02 -0.210903D+01 -0.883642D+01
      2  -0.103923D+00 -0.385377D+02 -0.124117D+02  0.216192D+01  0.789954D+01
      3   0.586071D-01 -0.301833D+02 -0.214754D+02 -0.528892D-01  0.936886D+00
      4   0.691535D+01  0.538596D+02  0.729272D+02  0.123199D+02 -0.682687D+01
      5   0.148499D+02 -0.358355D+00  0.102016D+02  0.135240D+02  0.570431D+02
      6  -0.399005D+00  0.457917D+01  0.222110D+01  0.642967D+01  0.122978D+02
                26            27            28            29            30 
      1   0.295782D+01  0.177200D+02 -0.950862D+02  0.106508D+02  0.386470D+01
      2  -0.156908D+01 -0.187267D+02  0.743942D+01 -0.161556D+02 -0.487234D+01
      3  -0.138874D+01  0.100668D+01  0.876468D+02  0.550481D+01  0.100764D+01
      4   0.103460D+02  0.103883D+02 -0.120015D+03  0.193682D+02 -0.151306D-01
      5   0.163013D+02  0.643679D+01 -0.263107D+02 -0.777897D+01 -0.148861D+02
      6   0.841578D+01  0.903630D+00 -0.816115D+02 -0.108831D+02 -0.233990D+01
                31            32            33            34            35 
      1  -0.784788D+02  0.335512D+02 -0.444774D+01 -0.280472D+02 -0.713458D+01
      2   0.270454D+02 -0.404808D+02  0.441598D+01  0.113298D+02 -0.752071D+00
      3   0.514333D+02  0.692958D+01  0.317580D-01  0.167173D+02  0.788665D+01
      4  -0.415504D+02  0.262817D+02  0.427345D+01 -0.182027D+02  0.549939D+00
      5  -0.250414D+02 -0.534741D+01  0.371879D+01  0.350128D+02  0.190568D+02
      6   0.503975D+01 -0.139538D+02 -0.596869D+01  0.193161D+02  0.389004D+01
                36            37            38            39            40 
      1   0.564449D+01  0.343063D+01  0.138503D+02 -0.139195D+02  0.129650D+03
      2  -0.129039D+02  0.404247D+02  0.295296D+01  0.131951D+02 -0.526113D+02
      3   0.725936D+01 -0.438553D+02 -0.168033D+02  0.724411D+00 -0.770387D+02
      4   0.158227D+02  0.652605D+02  0.158942D+02  0.131578D+02  0.104084D+03
      5   0.691583D+01  0.276892D+01  0.226879D+02 -0.279456D+02  0.573712D+02
      6  -0.376228D+01  0.336906D+02  0.102818D+02 -0.679108D+01  0.246375D+02
                41            42            43            44            45 
      1   0.192836D+02  0.290377D+02 -0.492724D+01  0.283001D+02 -0.455391D+02
      2  -0.241863D+01 -0.229739D+02  0.505643D+01 -0.244481D+02  0.323242D+02
      3  -0.168649D+02 -0.606380D+01 -0.129189D+00 -0.385206D+01  0.132149D+02
      4   0.113879D+02 -0.110573D+02  0.314176D+02  0.905579D+01 -0.206475D+02
      5  -0.960480D+01  0.201068D+02 -0.859293D+02 -0.207155D+02  0.187436D+02
      6  -0.108580D+01  0.557707D+01 -0.411885D+02 -0.770780D+01  0.145980D+02
                46            47            48            49            50 
      1  -0.715199D+01 -0.234914D+02  0.264854D+02 -0.486018D+02 -0.405499D+02
      2  -0.103879D+02 -0.571137D+01 -0.515384D+01  0.112341D+02  0.176469D+02
      3   0.175399D+02  0.292027D+02 -0.213316D+02  0.373677D+02  0.229029D+02
      4  -0.488803D+02 -0.522024D+02  0.639800D+01 -0.760435D+02 -0.230181D+02
      5   0.257675D+02  0.667522D+01  0.194126D+02  0.218770D+02  0.289660D+02
      6   0.188876D+02  0.950357D+01  0.150734D+02  0.211397D+02  0.122866D+02
                51            52            53            54            55 
      1  -0.332352D+01 -0.375491D+01 -0.217282D+02  0.427624D+02 -0.201777D+02
      2   0.338847D+01  0.934557D+01  0.136877D+02 -0.281360D+02 -0.115055D+02
      3  -0.649514D-01 -0.559066D+01  0.804055D+01 -0.146264D+02  0.316832D+02
      4   0.222353D+02 -0.228221D+02 -0.767015D+01  0.939890D+01 -0.631517D+02
      5  -0.841348D+01  0.426200D+02  0.495697D+01 -0.244107D+02  0.132185D+02
      6  -0.886187D+01  0.207150D+02 -0.380742D+01 -0.515264D+01 -0.954295D+01
                56            57            58            59            60 
      1  -0.611848D+02  0.114847D+02 -0.125389D+03  0.418090D+01 -0.303455D+02
      2   0.374145D+02 -0.184482D+02  0.679575D+02 -0.118167D+02  0.162058D+02
      3   0.237704D+02  0.696349D+01  0.574313D+02  0.763584D+01  0.141396D+02
      4  -0.753542D+01 -0.142638D+02 -0.169803D+02  0.872368D+01  0.267314D+02
      5  -0.236141D+02  0.421020D+02 -0.541658D+02  0.266315D+02  0.236069D+02
      6  -0.204858D+01  0.389251D+01 -0.101491D+02  0.116941D+01  0.123727D+02
                61            62            63            64            65 
      1   0.610109D+02 -0.188762D+02  0.513912D+02  0.361990D+02  0.611936D+01
      2  -0.416081D+02  0.135228D+02 -0.226165D+02  0.140929D+02  0.949905D-01
      3  -0.194027D+02  0.535340D+01 -0.287747D+02 -0.502918D+02 -0.621435D+01
      4   0.571783D+01  0.307874D+02  0.331075D+02  0.731214D+02 -0.266445D+02
      5   0.688482D+02  0.254931D+02 -0.440201D+00  0.129570D+03  0.724070D+01
      6   0.147167D+02  0.106584D+02  0.452200D+01  0.152852D+03  0.116933D+02
                66            67            68            69            70 
      1   0.560218D+01  0.596639D+02 -0.106908D+02  0.358542D+01 -0.209841D+01
      2  -0.152505D+01 -0.303759D+02  0.168039D+02 -0.171910D+01 -0.449770D+00
      3  -0.407713D+01 -0.292879D+02 -0.611309D+01 -0.186632D+01  0.254818D+01
      4   0.251632D+01  0.139978D+03  0.314653D+02  0.634309D+01  0.215838D+02
      5   0.172172D+02  0.934319D+02  0.127235D+02  0.653527D+01  0.877366D+02
      6   0.470418D+00  0.495723D+02  0.711033D+01  0.823087D+01  0.669427D+02
                71            72            73            74            75 
      1   0.402428D+01 -0.241616D+01 -0.734508D+02  0.820115D+01  0.432747D-02
      2  -0.235267D+01  0.135332D+01 -0.167205D+02 -0.831834D+01 -0.247353D-02
      3  -0.167161D+01  0.106284D+01  0.901713D+02  0.117189D+00 -0.185394D-02
      4  -0.133054D+01  0.459536D+01 -0.273408D+02 -0.207252D+02  0.130588D-02
      5   0.861378D+01  0.143307D+01 -0.231749D+00  0.170182D-01 -0.231163D+02
      6   0.105631D+02  0.215387D+01 -0.657681D-01 -0.126556D-01 -0.502524D+01
                76            77            78            79            80 
      1  -0.116898D+03 -0.996627D+01  0.222475D-01 -0.939112D+00  0.522093D-01
      2   0.560030D+02  0.263454D+01 -0.711575D-02  0.674627D+00 -0.213321D-01
      3   0.608952D+02  0.733173D+01 -0.151317D-01  0.264485D+00 -0.308773D-01
      4  -0.301877D+03  0.326028D+01  0.677154D-01  0.279443D+00 -0.320412D-01
      5   0.372188D+00  0.591537D-01 -0.157993D+01 -0.146403D+03 -0.254428D+01
      6   0.605427D+00  0.284610D-02 -0.440041D+01 -0.859206D+02  0.315980D+00
                81            82            83            84            85 
      1  -0.278841D+02  0.644992D+02 -0.590946D+02 -0.115167D+02  0.606459D+02
      2  -0.323405D+01  0.487112D+01  0.530966D+02  0.762971D+01 -0.382410D+02
      3   0.311182D+02 -0.693703D+02  0.599801D+01  0.388701D+01 -0.224049D+02
      4  -0.947297D+00 -0.322460D+02 -0.925222D+01  0.236612D+01  0.109665D+03
      5   0.428362D-01  0.923653D+02  0.766448D+01  0.202467D+02 -0.619216D+02
      6   0.247062D-01  0.132196D+03  0.740087D+01  0.112986D+02 -0.637380D+02
                86            87            88            89            90 
      1  -0.156778D+02 -0.388777D+01  0.548578D+01  0.248786D+01 -0.996631D+01
      2   0.165083D+02  0.202076D+01 -0.984459D+00 -0.342218D+01  0.598973D+01
      3  -0.830509D+00  0.186701D+01 -0.450132D+01  0.934319D+00  0.397658D+01
      4  -0.396331D+01 -0.413988D+01  0.676369D+01  0.925064D+00 -0.140286D+01
      5  -0.930902D+01 -0.126624D+01  0.270443D+01 -0.280583D+01  0.536841D+00
      6   0.245064D+01  0.596620D+01 -0.153698D+02  0.823606D+01  0.283726D+01
                91            92            93            94            95 
      1  -0.511983D+02  0.154241D+02  0.925623D+01 -0.109647D+03 -0.931987D+02
      2  -0.110612D+02 -0.170097D+02 -0.510422D+01  0.987568D+02  0.686424D+02
      3   0.622595D+02  0.158554D+01 -0.415201D+01  0.108906D+02  0.245562D+02
      4   0.657578D+02 -0.345945D+02 -0.197356D+01 -0.163501D+03 -0.140260D+03
      5  -0.289824D+02 -0.549590D+01 -0.225915D+02 -0.504523D+02 -0.134160D+02
      6  -0.783343D+02 -0.331962D+01 -0.678329D+01 -0.141745D+02 -0.552849D+00
                96            97            98            99           100 
      1  -0.929118D+01 -0.481798D+01 -0.131502D+02 -0.244491D+02 -0.167300D+02
      2   0.757551D+01  0.488178D+01  0.646670D+01  0.122555D+02  0.291778D+02
      3   0.171567D+01 -0.637970D-01  0.668353D+01  0.121936D+02 -0.124478D+02
      4  -0.208271D+02 -0.413311D+02 -0.165582D+02 -0.289504D+02 -0.369958D+02
      5  -0.219480D+02 -0.122251D+02 -0.245607D+02 -0.104916D+02  0.153645D+01
      6  -0.160973D+01 -0.115647D+02  0.126041D+02  0.248191D+01  0.115381D+02
               101           102           103           104           105 
      1  -0.237684D+02 -0.506781D+00  0.254629D+02  0.477255D+02  0.111220D+02
      2   0.163931D+02 -0.211169D+01 -0.639473D+02 -0.402405D+02 -0.659417D+01
      3   0.737526D+01  0.261847D+01  0.384844D+02 -0.748503D+01 -0.452786D+01
      4  -0.371228D+02 -0.483719D+01  0.900099D+02  0.185983D+02  0.134551D+01
      5  -0.225929D+01 -0.156097D+02  0.215372D+02  0.685165D+00 -0.161573D+01
      6  -0.378518D+01  0.997583D+01 -0.194416D+02  0.297827D+01 -0.859420D+01
               106           107           108           109           110 
      1   0.423995D+00 -0.560462D+00 -0.390544D+01  0.208578D+02  0.108536D+02
      2  -0.961286D+01  0.512885D+01 -0.126836D+01 -0.127491D+02 -0.183560D+02
      3   0.918887D+01 -0.456839D+01  0.517381D+01 -0.810872D+01  0.750244D+01
      4   0.274174D+02 -0.126816D+02  0.159181D+02 -0.101191D+02  0.397538D+02
      5  -0.183410D+02  0.124335D+02 -0.815998D+00  0.185848D+02 -0.276865D+01
      6   0.112284D+02 -0.150498D+02  0.167877D+00 -0.113089D+02  0.319781D+01
               111           112           113           114           115 
      1   0.112680D+02  0.224165D+01 -0.183724D+02  0.233595D+01  0.840174D+01
      2  -0.601254D+01 -0.208983D+01  0.306097D+02 -0.712884D+01 -0.876805D+01
      3  -0.525543D+01 -0.151820D+00 -0.122373D+02  0.479288D+01  0.366305D+00
      4  -0.779238D+01  0.614668D+01 -0.391655D+02  0.903591D+01 -0.917211D+01
      5   0.121571D+02 -0.103526D+02  0.809633D+01 -0.597161D+01  0.243723D+02
      6  -0.838325D+01  0.462554D+01 -0.117641D+02  0.108356D+02 -0.158636D+02
               116           117           118           119           120 
      1   0.178796D+02  0.253813D+00  0.367637D+01 -0.315068D+02  0.658093D+01
      2  -0.228068D+02  0.940532D+00 -0.359397D+02  0.509448D+01 -0.205365D+02
      3   0.492712D+01 -0.119434D+01  0.322634D+02  0.264123D+02  0.139556D+02
      4   0.357694D+02 -0.179106D+02 -0.538190D+02 -0.439369D+02 -0.832533D+01
      5  -0.138317D+02  0.291915D+02 -0.472785D+01 -0.164873D+02  0.211981D+02
      6   0.196494D+02 -0.275426D+02 -0.657035D+01 -0.154621D+02  0.175677D+02
               121           122           123           124           125 
      1  -0.257267D+02 -0.194665D+02 -0.218496D+02  0.770798D+01 -0.208800D+02
      2   0.307890D+01  0.530037D+01  0.215545D+02 -0.156090D+02  0.270277D+02
      3   0.226478D+02  0.141662D+02  0.295078D+00  0.790106D+01 -0.614771D+01
      4  -0.463053D+02 -0.147283D+02  0.160445D+01 -0.951989D+01  0.158186D+01
      5  -0.169727D+02  0.738129D+01 -0.513470D+01  0.193909D+02 -0.370876D+01
      6  -0.123062D+02  0.136464D+02 -0.100498D+01  0.164842D+02 -0.496274D+01
               126           127           128           129           130 
      1   0.332600D+02  0.652732D+01  0.604743D+02 -0.776948D+01  0.124599D+03
      2  -0.111619D+02  0.100491D+02 -0.368779D+02  0.131524D+02 -0.751012D+02
      3  -0.220981D+02 -0.165764D+02 -0.235964D+02 -0.538293D+01 -0.494978D+02
      4   0.115604D+02  0.648574D+02 -0.753592D-01  0.222307D+02 -0.167365D+02
      5  -0.183217D+02 -0.111461D+02  0.270251D+02 -0.314885D+02  0.471065D+02
      6  -0.234889D+02  0.102738D+02  0.844002D+00 -0.250160D+01 -0.206610D+01
               131           132           133           134           135 
      1  -0.132324D+02  0.421637D+02 -0.214036D+02  0.290745D+02 -0.418174D+02
      2   0.807741D+01 -0.253998D+02  0.190488D+02 -0.175379D+02  0.100651D+02
      3   0.515501D+01 -0.167638D+02  0.235475D+01 -0.115366D+02  0.317523D+02
      4  -0.223517D+02 -0.337845D+02  0.968933D+01 -0.334020D+02 -0.423666D+02
      5  -0.366321D+02 -0.267762D+02 -0.532462D+02 -0.339028D+02  0.111978D+02
      6  -0.125693D+02 -0.184415D+02 -0.119081D+02 -0.182264D+02 -0.320380D+01
               136           137           138           139           140 
      1   0.362444D+02  0.355995D+02 -0.734452D+01  0.490151D+02  0.479292D+00
      2  -0.874844D+01 -0.257459D+02  0.126030D+02 -0.326441D+02  0.137140D+02
      3  -0.274960D+02 -0.985361D+01 -0.525852D+01 -0.163710D+02 -0.141933D+02
      4   0.410998D+02 -0.490886D+01  0.183509D+02 -0.182425D+02 -0.656492D+01
      5  -0.733090D+00  0.315861D+02 -0.286185D+02  0.330745D+02 -0.409617D+02
      6   0.164853D+02 -0.511694D+01  0.564610D+01 -0.152598D+02 -0.919507D+01
               141           142           143           144           145 
      1   0.316835D+02 -0.627759D+01  0.250326D+02 -0.265310D+02  0.375840D+02
      2  -0.115886D+02  0.148781D+02 -0.686838D+01  0.516123D+01  0.137591D+02
      3  -0.200949D+02 -0.860047D+01 -0.181642D+02  0.213698D+02 -0.513431D+02
      4  -0.372541D+02  0.124691D+02 -0.252096D+02 -0.196609D+02  0.741888D+02
      5  -0.104035D+02 -0.318705D+02 -0.126948D+02 -0.170668D+01 -0.129635D+03
      6  -0.298207D+02  0.132786D+01 -0.203104D+02 -0.107197D+02 -0.152639D+03
               146           147           148           149           150 
      1   0.564868D+01 -0.563978D+01  0.608533D+02 -0.108939D+02 -0.358336D+01
      2   0.358836D+00  0.151827D+01 -0.308643D+02  0.168950D+02  0.171611D+01
      3  -0.600751D+01  0.412151D+01 -0.299891D+02 -0.600114D+01  0.186725D+01
      4  -0.266139D+02 -0.252490D+01  0.140729D+03  0.313934D+02 -0.640225D+01
      5  -0.731048D+01  0.172402D+02 -0.938118D+02 -0.127525D+02  0.656037D+01
      6  -0.117188D+02  0.534625D+00 -0.502867D+02 -0.716914D+01  0.826801D+01
               151           152           153           154           155 
      1   0.262077D+01 -0.400073D+01 -0.242088D+01 -0.952013D+02  0.107927D+02
      2   0.616745D-01  0.235047D+01  0.134979D+01  0.728794D+01 -0.162449D+02
      3  -0.268245D+01  0.165027D+01  0.107109D+01  0.879133D+02  0.545224D+01
      4  -0.219852D+02  0.131669D+01  0.460961D+01 -0.120221D+03  0.193122D+02
      5   0.879445D+02  0.863778D+01 -0.146539D+01  0.266007D+02  0.781970D+01
      6   0.671944D+02  0.105725D+02 -0.220544D+01  0.819590D+02  0.109025D+02
               156           157           158           159           160 
      1  -0.381712D+01 -0.783406D+02  0.333264D+02  0.449600D+01  0.278787D+02
      2   0.487544D+01  0.270800D+02 -0.403734D+02 -0.444703D+01 -0.112596D+02
      3  -0.105832D+01  0.512606D+02  0.704705D+01 -0.489723D-01 -0.166191D+02
      4   0.469037D-01 -0.414537D+02  0.264032D+02 -0.422354D+01  0.183731D+02
      5  -0.148941D+02  0.251820D+02  0.531882D+01  0.372347D+01  0.350401D+02
      6  -0.235235D+01 -0.462473D+01  0.139479D+02 -0.595251D+01  0.193327D+02
               161           162           163           164           165 
      1   0.716747D+01  0.562899D+01  0.347406D+01  0.138645D+02  0.139685D+02
      2   0.745051D+00 -0.128906D+02  0.404365D+02  0.295475D+01 -0.132193D+02
      3  -0.791252D+01  0.726164D+01 -0.439105D+02 -0.168192D+02 -0.749168D+00
      4  -0.555165D+00  0.158496D+02  0.654351D+02  0.159063D+02 -0.131428D+02
      5   0.190977D+02 -0.695378D+01 -0.267571D+01 -0.226596D+02 -0.278713D+02
      6   0.391089D+01  0.375747D+01 -0.337008D+02 -0.102810D+02 -0.675654D+01
               166           167           168           169           170 
      1   0.129606D+03  0.192625D+02 -0.290326D+02  0.474285D+01 -0.282719D+02
      2  -0.525102D+02 -0.238307D+01  0.229474D+02 -0.491197D+01  0.244385D+02
      3  -0.770955D+02 -0.168794D+02  0.608519D+01  0.169123D+00  0.383338D+01
      4   0.104179D+03  0.113796D+02  0.110146D+02 -0.315465D+02 -0.914082D+01
      5  -0.574045D+02  0.957402D+01  0.200031D+02 -0.858156D+02 -0.207750D+02
      6  -0.247851D+02  0.107069D+01  0.555264D+01 -0.412118D+02 -0.776557D+01
               171           172           173           174           175 
      1  -0.453932D+02 -0.199199D+02 -0.612550D+02 -0.116557D+02 -0.125370D+03
      2   0.322066D+02 -0.116815D+02  0.374302D+02  0.184924D+02  0.678994D+02
      3   0.131866D+02  0.316014D+02  0.238248D+02 -0.683678D+01  0.574711D+02
      4  -0.207026D+02 -0.631497D+02 -0.755371D+01  0.141771D+02 -0.169474D+02
      5  -0.188764D+02 -0.134076D+02  0.235365D+02  0.420391D+02  0.539824D+02
      6  -0.146580D+02  0.952977D+01  0.202680D+01  0.389140D+01  0.101405D+02
               176           177           178           179           180 
      1   0.415887D+01  0.302076D+02 -0.611172D+02  0.187917D+02  0.512738D+02
      2  -0.117868D+02 -0.160897D+02  0.415906D+02 -0.134547D+02 -0.224829D+02
      3   0.762797D+01 -0.141179D+02  0.195267D+02 -0.533702D+01 -0.287909D+02
      4   0.873390D+01 -0.267004D+02 -0.581213D+01 -0.307611D+02  0.331909D+02
      5  -0.265938D+02  0.237692D+02  0.687014D+02  0.255887D+02  0.626855D+00
      6  -0.115403D+01  0.123856D+02  0.147229D+02  0.106678D+02 -0.449918D+01
               181           182           183           184           185 
      1  -0.204605D+02  0.683467D+01  0.671446D+01  0.179234D+02 -0.420010D+02
      2   0.152313D+02  0.433892D+00 -0.353912D+01 -0.102329D+01  0.243213D+02
      3   0.522921D+01 -0.726856D+01 -0.317534D+01 -0.169001D+02  0.176798D+02
      4   0.120091D+02 -0.319792D+02 -0.769288D+01 -0.674487D+02  0.358788D+01
      5   0.811094D+01 -0.115780D+02 -0.196746D+02 -0.211917D+02  0.189966D+02
      6   0.220477D+01 -0.282430D+01 -0.192034D+01 -0.934907D+00  0.740777D+00
               186           187           188           189           190 
      1  -0.992308D+01  0.131470D+02 -0.850279D+01 -0.331716D+02  0.104152D+03
      2   0.810470D+01 -0.163772D+01  0.816857D+01  0.229200D+02 -0.515351D+02
      3   0.181838D+01 -0.115093D+02  0.334218D+00  0.102516D+02 -0.526167D+02
      4   0.219014D+02 -0.145268D+02  0.126282D+02 -0.287285D+02  0.537907D+02
      5  -0.432754D+02 -0.583426D+02 -0.331707D+02 -0.428244D+01 -0.105618D+01
      6  -0.800978D+01 -0.725021D+01 -0.609684D+01 -0.553270D+00 -0.245231D+02
               191           192           193           194           195 
      1   0.570233D+02 -0.488417D-01  0.683944D+02  0.339407D+02  0.210239D+01
      2  -0.446963D+02  0.108476D+00 -0.384376D+02 -0.124518D+02 -0.215695D+01
      3  -0.123269D+02 -0.596344D-01 -0.299568D+02 -0.214889D+02  0.545577D-01
      4   0.819630D+02 -0.689841D+01  0.538528D+02  0.730056D+02 -0.123254D+02
      5  -0.232982D+01  0.148547D+02  0.465870D+00 -0.101255D+02  0.135339D+02
      6   0.502191D+01 -0.392778D+00 -0.466674D+01 -0.221764D+01  0.643753D+01
               196           197           198           199           200 
      1   0.901000D+01 -0.287062D+01  0.177278D+02 -0.112748D+03 -0.141322D+02
      2  -0.796051D+01  0.149111D+01 -0.187281D+02  0.669263D+02  0.167954D+02
      3  -0.104949D+01  0.137950D+01  0.100024D+01  0.458214D+02 -0.266317D+01
      4   0.696452D+01 -0.102216D+02  0.103899D+02 -0.172343D+02  0.130836D+02
      5   0.570819D+02  0.163083D+02 -0.644319D+01 -0.485073D+02 -0.877231D+01
      6   0.122718D+02  0.843284D+01 -0.903177D+00 -0.500645D+00  0.471216D+01
               201           202           203           204           205 
      1  -0.306172D+02 -0.162080D+02  0.270176D+02 -0.108680D+02 -0.153300D+01
      2   0.108948D+02  0.886818D+01 -0.166523D+02 -0.421634D+01 -0.586197D+01
      3   0.197224D+02  0.733985D+01 -0.103653D+02  0.150844D+02  0.739497D+01
      4  -0.654130D+01  0.238150D+02 -0.958245D+01 -0.406139D+01  0.102711D+02
      5   0.113147D+02  0.206696D+01  0.906566D+00  0.325290D+02  0.273051D+02
      6  -0.215079D+01  0.365497D+01 -0.265935D+01 -0.698906D-01  0.311839D+01
               206           207           208           209           210 
      1  -0.583280D+01  0.241175D+02 -0.712894D+01 -0.234414D+02 -0.265258D+02
      2  -0.689626D+01 -0.806999D+01 -0.103732D+02 -0.574823D+01  0.520021D+01
      3   0.127291D+02 -0.160475D+02  0.175021D+02  0.291896D+02  0.213256D+02
      4   0.339727D+01  0.317446D+02 -0.489145D+02 -0.522419D+02 -0.644448D+01
      5   0.328678D+02  0.207761D+01 -0.258263D+02 -0.669783D+01  0.193068D+02
      6   0.254252D+01  0.112255D+02 -0.189255D+02 -0.952950D+01  0.150416D+02
               211           212           213           214           215 
      1  -0.485991D+02 -0.405084D+02  0.334434D+01  0.363994D+01  0.216942D+02
      2   0.112064D+02  0.176001D+02 -0.342707D+01 -0.928791D+01 -0.137107D+02
      3   0.373927D+02  0.229084D+02  0.827284D-01  0.564797D+01 -0.798352D+01
      4  -0.761377D+02 -0.231233D+02 -0.222778D+02  0.227629D+02  0.763033D+01
      5  -0.218946D+02 -0.290076D+02 -0.836721D+01  0.424996D+02  0.499320D+01
      6  -0.211623D+02 -0.123426D+02 -0.886104D+01  0.206843D+02 -0.379785D+01
               216           217           218           219           220 
      1   0.426159D+02  0.363167D+02  0.357217D+02  0.746215D+01  0.491342D+02
      2  -0.280895D+02 -0.875442D+01 -0.257569D+02 -0.125964D+02 -0.326303D+02
      3  -0.145263D+02 -0.275623D+02 -0.996486D+01  0.513421D+01 -0.165039D+02
      4   0.943368D+01  0.411517D+02 -0.501454D+01 -0.182343D+02 -0.184074D+02
      5   0.245101D+02  0.816620D+00 -0.314993D+02 -0.285847D+02 -0.329375D+02
      6   0.523713D+01 -0.164582D+02  0.520283D+01  0.557734D+01  0.153631D+02
               221           222           223           224           225 
      1   0.282619D+00 -0.315984D+02  0.642600D+01 -0.249478D+02 -0.264610D+02
      2   0.138242D+02  0.114556D+02 -0.148903D+02  0.675595D+01  0.509826D+01
      3  -0.141068D+02  0.201428D+02  0.846433D+01  0.181918D+02  0.213628D+02
      4  -0.647866D+01  0.372949D+02 -0.123287D+02  0.252184D+02 -0.198061D+02
      5   0.410486D+02 -0.106303D+02 -0.318435D+02 -0.128899D+02  0.160892D+01
      6   0.913098D+01 -0.298227D+02  0.125622D+01 -0.203119D+02  0.107897D+02
               226           227           228           229           230 
      1   0.624659D+01  0.606053D+02  0.796096D+01  0.124756D+03 -0.132212D+02
      2   0.102501D+02 -0.369208D+02 -0.132074D+02 -0.751454D+02  0.804438D+01
      3  -0.164967D+02 -0.236845D+02  0.524648D+01 -0.496107D+02  0.517680D+01
      4   0.649426D+02 -0.340784D-01 -0.221095D+02 -0.166773D+02 -0.223580D+02
      5   0.113486D+02 -0.269276D+02 -0.314105D+02 -0.469322D+02  0.365437D+02
      6  -0.102172D+02 -0.834617D+00 -0.251546D+01  0.205021D+01  0.125560D+02
               231           232           233           234           235 
      1  -0.420213D+02  0.215414D+02 -0.289472D+02 -0.416632D+02  0.382758D+01
      2   0.252977D+02 -0.190572D+02  0.174578D+02  0.993604D+01 -0.360579D+02
      3   0.167236D+02 -0.248422D+01  0.114894D+02  0.317271D+02  0.322304D+02
      4   0.336996D+02 -0.954361D+01  0.333554D+02 -0.424953D+02 -0.537160D+02
      5  -0.269499D+02 -0.531190D+02 -0.340547D+02 -0.113412D+02  0.465281D+01
      6  -0.184394D+02 -0.119422D+02 -0.182424D+02  0.318827D+01  0.652243D+01
               236           237           238           239           240 
      1  -0.314639D+02 -0.664173D+01 -0.257226D+02 -0.194683D+02  0.218321D+02
      2   0.505234D+01  0.205557D+02  0.303203D+01  0.524805D+01 -0.215152D+02
      3   0.264116D+02 -0.139140D+02  0.226906D+02  0.142203D+02 -0.316889D+00
      4  -0.439669D+02  0.825147D+01 -0.463798D+02 -0.147899D+02 -0.159638D+01
      5   0.164708D+02  0.211587D+02  0.169858D+02 -0.735967D+01 -0.507047D+01
      6   0.154453D+02  0.175042D+02  0.123149D+02 -0.136265D+02 -0.929898D+00
               241           242           243           244           245 
      1  -0.777389D+01  0.208304D+02  0.331797D+02 -0.506645D+02  0.156559D+02
      2   0.156166D+02 -0.269907D+02 -0.110079D+02 -0.112745D+02 -0.171839D+02
      3  -0.784275D+01  0.616031D+01 -0.221718D+02  0.619390D+02  0.152796D+01
      4   0.943726D+01 -0.158583D+01  0.115764D+02  0.655937D+02 -0.346102D+02
      5   0.193581D+02 -0.365651D+01  0.184228D+02  0.289338D+02  0.544644D+01
      6   0.164389D+02 -0.487716D+01  0.235714D+02  0.783433D+02  0.334026D+01
               246           247           248           249           250 
      1  -0.923708D+01 -0.109439D+03 -0.930099D+02  0.928138D+01  0.455162D+01
      2   0.510187D+01  0.985612D+02  0.685569D+02 -0.757611D+01 -0.471822D+01
      3   0.413522D+01  0.108781D+02  0.244530D+02 -0.170528D+01  0.166598D+00
      4   0.195827D+01 -0.163397D+03 -0.140406D+03  0.208435D+02  0.414385D+02
      5  -0.225924D+02  0.503995D+02  0.133963D+02 -0.219706D+02 -0.122123D+02
      6  -0.680862D+01  0.145124D+02  0.563190D+00 -0.163107D+01 -0.116652D+02
               251           252           253           254           255 
      1   0.131776D+02 -0.244296D+02 -0.165900D+02 -0.237866D+02  0.507587D+00
      2  -0.648191D+01  0.122519D+02  0.290981D+02  0.164115D+02  0.211147D+01
      3  -0.669567D+01  0.121778D+02 -0.125081D+02  0.737507D+01 -0.261906D+01
      4   0.165671D+02 -0.289603D+02 -0.368642D+02 -0.371585D+02  0.483064D+01
      5  -0.245700D+02  0.104874D+02 -0.155093D+01  0.225129D+01 -0.156127D+02
      6   0.125982D+02 -0.246474D+01 -0.115821D+02  0.379436D+01  0.998693D+01
               256           257           258           259           260 
      1   0.253462D+02  0.477265D+02 -0.111192D+02 -0.507585D+00  0.491325D+00
      2  -0.638251D+02 -0.402591D+02  0.660037D+01  0.966857D+01 -0.508503D+01
      3   0.384790D+02 -0.746736D+01  0.451884D+01 -0.916099D+01  0.459371D+01
      4   0.898305D+02  0.186277D+02 -0.134783D+01 -0.274084D+02  0.126445D+02
      5  -0.215180D+02 -0.682357D+00 -0.162013D+01 -0.183657D+02  0.124383D+02
      6   0.194151D+02 -0.296558D+01 -0.859163D+01  0.112462D+02 -0.150428D+02
               261           262           263           264           265 
      1  -0.391674D+01  0.208843D+02  0.108447D+02 -0.112752D+02  0.220686D+01
      2  -0.125654D+01 -0.127541D+02 -0.183653D+02  0.601616D+01 -0.208221D+01
      3   0.517328D+01 -0.813015D+01  0.752064D+01  0.525902D+01 -0.124652D+00
      4   0.159281D+02 -0.101728D+02  0.398040D+02  0.779836D+01  0.618245D+01
      5   0.797188D+00 -0.185839D+02  0.277329D+01  0.121668D+02  0.103383D+02
      6  -0.153645D+00  0.113105D+02 -0.320389D+01 -0.839175D+01 -0.462438D+01
               266           267           268           269           270 
      1  -0.183570D+02 -0.233680D+01 -0.841703D+01 -0.178457D+02  0.268530D+00
      2   0.306046D+02  0.712853D+01  0.876630D+01  0.227876D+02  0.933666D+00
      3  -0.122476D+02 -0.479173D+01 -0.349275D+00 -0.494197D+01 -0.120220D+01
      4  -0.391922D+02 -0.904048D+01  0.918869D+01 -0.357787D+02 -0.179218D+02
      5  -0.810154D+01 -0.597287D+01  0.243685D+02 -0.138405D+02 -0.291948D+02
      6   0.117612D+02  0.108351D+02 -0.158696D+02  0.196478D+02  0.275333D+02
               271           272           273           274           275 
      1   0.649028D+02 -0.594921D+02  0.114562D+02  0.599504D+02 -0.154848D+02
      2   0.459013D+01  0.533687D+02 -0.760836D+01 -0.377734D+02  0.164049D+02
      3  -0.694930D+02  0.612338D+01 -0.384785D+01 -0.221770D+02 -0.920133D+00
      4  -0.313830D+02 -0.923086D+01 -0.237019D+01  0.108631D+03 -0.394976D+01
      5  -0.923257D+02 -0.760779D+01  0.202802D+02  0.618093D+02  0.927202D+01
      6  -0.132638D+03 -0.738133D+01  0.113648D+02  0.632743D+02 -0.240205D+01
               276           277           278           279           280 
      1   0.386079D+01 -0.455280D+01 -0.261166D+01 -0.996521D+01  0.358688D+02
      2  -0.200707D+01  0.398786D+00  0.347019D+01  0.599624D+01 -0.287381D+02
      3  -0.185372D+01  0.415401D+01 -0.858524D+00  0.396896D+01 -0.713075D+01
      4   0.410294D+01 -0.686677D+01 -0.905097D+00 -0.140136D+01 -0.176525D+02
      5  -0.127787D+01  0.280904D+01 -0.278861D+01 -0.538759D+00  0.159886D+02
      6   0.592724D+01 -0.151834D+02  0.824304D+01 -0.282365D+01 -0.141648D+02
               281           282           283           284           285 
      1   0.158374D+02  0.730336D+01  0.241167D+01 -0.515249D+01  0.579635D+01
      2  -0.200103D+02 -0.487380D+01 -0.334588D+01  0.103602D+02 -0.775233D+01
      3   0.417293D+01 -0.242956D+01  0.934209D+00 -0.520772D+01  0.195599D+01
      4   0.396085D+02 -0.172185D+02  0.144040D+02 -0.195842D+02  0.104216D+02
      5  -0.106122D+02  0.200872D+02  0.163563D+01  0.105101D+02 -0.211969D+01
      6   0.774185D+01 -0.111841D+02  0.570508D+01 -0.897080D+01  0.776495D+01
               286           287           288           289           290 
      1   0.112810D+02  0.115077D+02  0.419793D+00 -0.171650D+02 -0.227957D+02
      2  -0.175184D+02 -0.102688D+02 -0.869498D+01  0.208898D+02  0.240452D+02
      3   0.623744D+01 -0.123893D+01  0.827519D+01 -0.372475D+01 -0.124951D+01
      4  -0.104653D+02  0.223660D+02 -0.190036D+02  0.141079D+01  0.970438D+01
      5   0.201509D+02 -0.135280D+02  0.328838D+02 -0.131781D+01 -0.124422D+01
      6  -0.176094D+02  0.146778D+02 -0.255314D+02 -0.681729D+01 -0.511341D+01
               291           292           293           294           295 
      1   0.584478D+01 -0.561409D+01 -0.489819D+02  0.890817D+01  0.142792D+01
      2  -0.373501D+01  0.172839D+02  0.644639D+02 -0.828657D+01 -0.280988D+01
      3  -0.210977D+01 -0.116698D+02 -0.154820D+02 -0.621605D+00  0.138196D+01
      4  -0.203892D+01  0.742042D+00 -0.176654D+02  0.356060D+01  0.172626D+00
      5  -0.656898D-01  0.750291D+00  0.313803D+01 -0.283048D+01  0.443751D+00
      6   0.717523D+01 -0.427917D+01 -0.122357D+02  0.138182D+02  0.384209D+01
               296           297           298           299           300 
      1   0.805051D+01 -0.152930D+02 -0.171474D+02 -0.227839D+02 -0.584841D+01
      2  -0.588851D+01  0.123287D+02  0.208881D+02  0.240341D+02  0.373694D+01
      3  -0.216200D+01  0.296429D+01 -0.374074D+01 -0.125025D+01  0.211147D+01
      4   0.283128D+00 -0.241214D+01  0.140922D+01  0.970291D+01  0.203943D+01
      5  -0.640081D+01  0.323289D+01  0.132244D+01  0.124264D+01 -0.642066D-01
      6   0.172115D+02 -0.988353D+01  0.682973D+01  0.511448D+01  0.717834D+01
               301           302           303           304           305 
      1  -0.561166D+01 -0.489570D+02 -0.891415D+01 -0.142503D+01 -0.804963D+01
      2   0.172926D+02  0.644242D+02  0.828986D+01  0.281074D+01  0.588741D+01
      3  -0.116810D+02 -0.154673D+02  0.624287D+00 -0.138570D+01  0.216222D+01
      4   0.716687D+00 -0.176398D+02 -0.355955D+01 -0.177047D+00 -0.279842D+00
      5  -0.757400D+00 -0.313891D+01 -0.282740D+01  0.444110D+00 -0.639532D+01
      6   0.427569D+01  0.122354D+02  0.138153D+02  0.384813D+01  0.172083D+02
               306           307           308           309           310 
      1  -0.152936D+02  0.359092D+02  0.158641D+02 -0.729526D+01  0.239723D+01
      2   0.123248D+02 -0.287624D+02 -0.200260D+02  0.486694D+01 -0.333430D+01
      3   0.296880D+01 -0.714672D+01  0.416191D+01  0.242832D+01  0.937070D+00
      4  -0.240677D+01 -0.176557D+02  0.396174D+02  0.172254D+02  0.144264D+02
      5  -0.323265D+01 -0.159804D+02  0.106193D+02  0.200847D+02 -0.162914D+01
      6   0.988877D+01  0.141688D+02 -0.774780D+01 -0.111885D+02 -0.571156D+01
               311           312           313           314           315 
      1  -0.517731D+01 -0.579377D+01 -0.112763D+02 -0.115154D+02  0.416566D+00
      2   0.103878D+02  0.774916D+01  0.175064D+02  0.102699D+02 -0.868457D+01
      3  -0.521046D+01 -0.195540D+01 -0.623011D+01  0.124553D+01  0.826800D+01
      4  -0.196123D+02 -0.104283D+02  0.104816D+02 -0.223530D+02 -0.190076D+02
      5  -0.105140D+02 -0.212936D+01  0.201430D+02 -0.135312D+02 -0.328623D+02
      6   0.897379D+01  0.777246D+01 -0.176061D+02  0.146819D+02  0.255255D+02
               316           317           318           319           320 
      1   0.465414D+02  0.263942D+02  0.938087D+01  0.320620D+02  0.198387D+02
      2  -0.150889D+02 -0.991541D+00 -0.381855D+01 -0.751338D+00  0.125430D+02
      3  -0.314525D+02 -0.254027D+02 -0.556232D+01 -0.313107D+02 -0.323817D+02
      4   0.577193D+02  0.540773D+02  0.148040D+02  0.690134D+02  0.748339D+02
      5   0.255164D+02  0.174104D+02  0.166633D+02  0.270580D+02  0.270761D+02
      6   0.155503D+02  0.142481D+02  0.793152D+01  0.213524D+02  0.240110D+02
               321           322           323           324           325 
      1   0.409726D+01 -0.587754D+01 -0.280265D+01  0.452182D+00 -0.193986D+02
      2   0.726421D+00  0.131552D+01 -0.142247D+00  0.126525D+01  0.969806D+01
      3  -0.482368D+01  0.456202D+01  0.294489D+01 -0.171743D+01  0.970057D+01
      4   0.229386D+02 -0.709467D+00  0.772229D+01  0.120566D+02  0.284686D+01
      5   0.182146D+02  0.869295D+01  0.117480D+02  0.717898D+01  0.450514D+01
      6   0.141597D+02  0.430456D+01  0.914550D+01  0.619633D+01  0.807249D+01
               326           327           328           329           330 
      1   0.187656D+02  0.304922D+02  0.696131D+01 -0.949686D+01 -0.109334D+02
      2  -0.925575D+01 -0.764827D+01 -0.254432D+01  0.648435D+01  0.732353D+01
      3  -0.950988D+01 -0.228439D+02 -0.441698D+01  0.301251D+01  0.360990D+01
      4  -0.317455D+00 -0.196909D+01  0.698104D+01  0.988768D+01  0.886907D+01
      5  -0.547706D+01 -0.182849D+02  0.750337D+00  0.956354D+01  0.683750D+01
      6  -0.914607D+01 -0.176279D+02 -0.326921D+00  0.106411D+02  0.114242D+02
               331           332           333           334           335 
      1   0.117425D+02 -0.163863D+02 -0.361733D+02  0.176975D+03  0.289780D+01
      2  -0.268548D+01  0.689140D+01  0.426040D+01 -0.105685D+03 -0.139802D+01
      3  -0.905701D+01  0.949485D+01  0.319129D+02 -0.712902D+02 -0.149978D+01
      4   0.106416D+01  0.807592D+01  0.599517D+01  0.902497D+01  0.142713D+02
      5  -0.114342D+00  0.111223D+02  0.288785D+02  0.748437D+02  0.910065D+00
      6  -0.423839D+01  0.145558D+02  0.235338D+02  0.189175D+01  0.329706D+01
               336           337           338           339           340 
      1   0.399509D+02  0.361866D+01  0.114228D+02 -0.254421D+00  0.257089D+02
      2  -0.285585D+02 -0.168940D+01 -0.537239D+01  0.892257D+00 -0.208429D+02
      3  -0.113924D+02 -0.192925D+01 -0.605039D+01 -0.637836D+00 -0.486599D+01
      4   0.647166D+00  0.188544D+02  0.679195D+00  0.587785D+01 -0.317447D+00
      5   0.367933D+02 -0.606536D+00  0.667138D+01 -0.918924D+00  0.299499D+02
      6   0.209776D+01  0.446275D+01  0.106868D+01  0.323897D+01  0.261145D+01
               341           342           343           344           345 
      1   0.101632D+00  0.194021D+02  0.705270D+01 -0.552331D+01  0.172982D+02
      2   0.185113D+01 -0.155951D+02 -0.698348D+01  0.857096D-01 -0.164001D+01
      3  -0.195276D+01 -0.380704D+01 -0.692224D-01  0.543760D+01 -0.156582D+02
      4   0.467054D+00 -0.345397D+00 -0.264420D+01 -0.574665D+01  0.583445D+01
      5  -0.765719D+00  0.165038D+02  0.933002D+01  0.378341D+01 -0.113536D+02
      6   0.182370D+01 -0.682341D-01 -0.983165D+00 -0.241900D+01  0.110358D+01
               346           347           348           349           350 
      1  -0.622681D+01 -0.979311D+01  0.777631D+01  0.760897D+01  0.587780D+01
      2   0.590204D+01  0.351195D+00  0.732098D+01 -0.663495D+01  0.624352D+01
      3   0.324766D+00  0.944191D+01 -0.150973D+02 -0.974023D+00 -0.121213D+02
      4   0.230365D+01 -0.157694D+02  0.182685D+02 -0.472752D+01  0.147407D+02
      5  -0.719257D+01  0.156792D+02 -0.287556D+02  0.118086D+02 -0.208322D+02
      6   0.431008D+00 -0.714578D+01  0.870456D+01 -0.136747D+01  0.724117D+01
               351           352           353           354           355 
      1  -0.213863D+02  0.524516D+02 -0.284967D+02 -0.463775D+01 -0.361161D+02
      2  -0.168797D+02 -0.246174D+02  0.127344D+02  0.223888D+01  0.133264D+02
      3   0.382660D+02 -0.278342D+02  0.157623D+02  0.239887D+01  0.227897D+02
      4  -0.232821D+02 -0.400733D+02  0.286164D+02  0.414314D+01  0.458510D+02
      5   0.553037D+02 -0.594251D+01  0.387157D+01  0.113941D+02  0.520559D+01
      6  -0.801965D+01  0.140885D+01 -0.755014D+00 -0.114577D+01 -0.157553D+01
               356           357           358           359           360 
      1   0.201876D+02  0.329159D+01 -0.149189D+02  0.661369D+01  0.106852D+02
      2  -0.123281D+01 -0.877450D+00  0.756081D+01 -0.287548D+01 -0.710925D+01
      3  -0.189547D+02 -0.241414D+01  0.735814D+01 -0.373822D+01 -0.357596D+01
      4  -0.530588D+02 -0.669151D+01  0.118689D+02 -0.856413D+01 -0.867059D+01
      5  -0.612102D+01 -0.556197D+01  0.213618D+02 -0.775774D+01 -0.583493D+01
      6   0.972229D+00  0.330999D+01 -0.228645D+01  0.430584D+01  0.116075D+01
               361           362           363           364           365 
      1  -0.448357D+02 -0.183566D+02 -0.141026D+02 -0.188494D+02 -0.120427D+02
      2   0.216286D+02  0.105549D+02 -0.491185D+01  0.104051D+02  0.419980D+01
      3   0.232071D+02  0.780174D+01  0.190145D+02  0.844436D+01  0.784294D+01
      4  -0.206523D+02 -0.951199D+01  0.782766D+00 -0.558332D+01 -0.636571D+01
      5   0.222693D+02  0.110548D+02 -0.117502D+02  0.110600D+02 -0.167102D+01
      6   0.691741D+01  0.530383D+01  0.274042D+00  0.285149D+01  0.354370D+01
               366           367           368           369           370 
      1  -0.192156D+01 -0.956942D+00  0.372788D+00 -0.115218D+02  0.481999D+00
      2  -0.381353D+01 -0.625192D+01 -0.320899D+01  0.510561D+01 -0.351389D+01
      3   0.573509D+01  0.720886D+01  0.283620D+01  0.641621D+01  0.303190D+01
      4  -0.642012D+01  0.272686D+01 -0.245573D+01 -0.467426D+01  0.279544D+01
      5  -0.556621D+01 -0.740508D+01 -0.442305D+01  0.594679D+01 -0.999670D+01
      6   0.574990D+01  0.106276D+00  0.311697D+01  0.895545D+00 -0.355448D+01
               371           372           373           374           375 
      1   0.433057D+01 -0.922370D+01  0.281881D+01 -0.129974D+02  0.185315D+02
      2  -0.150956D+01  0.599355D+01 -0.530978D+01  0.318224D+01  0.668853D+01
      3  -0.282102D+01  0.323015D+01  0.249097D+01  0.981514D+01 -0.252200D+02
      4   0.450782D+01 -0.128660D+01  0.124404D+02  0.298083D+02 -0.253502D+02
      5  -0.139188D+01  0.110933D+02 -0.140883D+02 -0.269715D+02  0.402502D+02
      6  -0.143651D+01  0.724159D-01 -0.945467D+01 -0.266753D+02  0.282309D+02
               376           377           378           379           380 
      1  -0.406350D+01  0.121557D+02 -0.179478D+02  0.346860D+02 -0.170363D+02
      2   0.872474D+01  0.328923D+01 -0.137146D+02 -0.296929D+02  0.141670D+02
      3  -0.466125D+01 -0.154449D+02  0.316624D+02 -0.499311D+01  0.286927D+01
      4  -0.645304D+01 -0.179420D+02  0.216808D+02 -0.230543D+02  0.179549D+02
      5   0.192332D+02  0.222991D+02 -0.447205D+02 -0.423086D+02  0.210881D+02
      6   0.597293D+01  0.201059D+02 -0.254084D+02  0.103637D+02 -0.869195D+01
               381           382           383           384           385 
      1  -0.169023D+02 -0.242737D+02  0.107730D+02  0.105786D+02 -0.957389D+01
      2   0.227445D+02  0.217659D+02 -0.132605D+02 -0.187817D+02  0.173573D+02
      3  -0.584220D+01  0.250778D+01  0.248753D+01  0.820312D+01 -0.778343D+01
      4   0.150821D+02  0.261996D+02 -0.273956D+02 -0.250129D+02  0.120023D+02
      5   0.403250D+02  0.340674D+02 -0.293613D+02 -0.335523D+02  0.320445D+02
      6  -0.659021D+01 -0.135384D+02  0.140656D+02  0.155581D+02 -0.628469D+01
               386           387           388           389           390 
      1   0.480253D+01  0.907950D+01  0.442615D+02  0.991553D+01  0.237534D+02
      2  -0.906866D+01 -0.212488D+02 -0.182786D+02 -0.112196D+01 -0.827328D+01
      3   0.426613D+01  0.121694D+02 -0.259829D+02 -0.879356D+01 -0.154801D+02
      4  -0.135445D+02 -0.133541D+02  0.175861D+02  0.143077D+02  0.141163D+02
      5  -0.158902D+02 -0.370090D+02  0.214464D+02  0.101581D+02  0.189524D+02
      6   0.965036D+01  0.778199D+01  0.623681D+01  0.209176D+01  0.386523D+01
               391           392           393           394           395 
      1   0.991775D+01  0.137340D+02  0.113056D+02  0.541263D+02  0.181424D+02
      2   0.141058D+01 -0.129180D+01 -0.186833D+01 -0.211279D+02 -0.359955D+01
      3  -0.113283D+02 -0.124422D+02 -0.943729D+01 -0.329984D+02 -0.145429D+02
      4   0.231668D+02  0.201562D+02  0.985229D+01  0.273145D+02  0.176378D+02
      5   0.116977D+02  0.678805D+01  0.145921D+02  0.232007D+02  0.146075D+02
      6   0.117479D+01  0.137359D+01  0.624728D+01  0.523913D+01  0.519648D+01
               396           397           398           399           400 
      1   0.225264D+02  0.113828D+03 -0.311824D+02 -0.298227D+02 -0.101780D+03
      2  -0.550172D+01 -0.696326D+02  0.196336D+02  0.209759D+02  0.619140D+02
      3  -0.170246D+02 -0.441953D+02  0.115488D+02  0.884678D+01  0.398665D+02
      4   0.189916D+02 -0.263646D+02  0.162330D+02  0.718201D+01  0.285553D+02
      5   0.482318D+02 -0.423708D+02  0.121635D+02  0.254717D+02  0.412985D+02
      6   0.112491D+02  0.418750D+01 -0.197874D+01  0.652297D+00 -0.389926D+01
               401           402           403           404           405 
      1   0.282906D+02  0.260407D+02 -0.458561D+02  0.102396D+02  0.280941D+02
      2  -0.187050D+02 -0.195528D+02  0.326806D+02 -0.893592D+01 -0.203458D+02
      3  -0.958564D+01 -0.648786D+01  0.131755D+02 -0.130370D+01 -0.774834D+01
      4  -0.247233D+02 -0.137880D+02  0.692937D+01 -0.118862D+02 -0.276638D+01
      5  -0.167407D+02 -0.203300D+02  0.437358D+02 -0.570371D+01 -0.243283D+02
      6   0.357836D+01  0.340428D+01  0.231320D+01  0.425628D+01 -0.429729D+00
               406           407           408           409           410 
      1   0.131969D+02  0.786661D+01 -0.110581D+02  0.211513D+02  0.757237D+01
      2  -0.591254D+01 -0.243062D+01  0.572525D+01 -0.468893D+01  0.100635D+02
      3  -0.728437D+01 -0.543599D+01  0.533285D+01 -0.164624D+02 -0.176358D+02
      4   0.109007D+02  0.104888D+02 -0.524491D+01  0.447187D+02  0.631734D+02
      5  -0.141036D+02 -0.483767D+01  0.913755D+01 -0.242088D+02 -0.372550D+02
      6  -0.561769D+01 -0.252346D+01  0.201189D+01 -0.147701D+02 -0.251240D+02
               411           412           413           414           415 
      1  -0.307076D+00 -0.276706D+02 -0.132950D+01  0.799286D+01 -0.212047D+02
      2  -0.303710D+01  0.155059D+02 -0.250485D+01 -0.635163D+01  0.235783D+02
      3   0.334418D+01  0.121647D+02  0.383434D+01 -0.164123D+01 -0.237362D+01
      4  -0.365648D+02 -0.262315D+02 -0.377783D+02  0.340880D+02 -0.317932D+01
      5   0.337967D+02  0.356313D+02  0.338619D+02 -0.402100D+02  0.526333D+01
      6   0.195903D+02  0.138806D+02  0.199644D+02 -0.199945D+02  0.515017D+01
               416           417           418           419           420 
      1   0.334413D+02  0.995332D+01  0.154345D+02 -0.307367D+02 -0.111757D+02
      2  -0.361751D+02 -0.118454D+02 -0.149131D+02  0.413122D+02  0.134431D+02
      3   0.273378D+01  0.189205D+01 -0.521359D+00 -0.105756D+02 -0.226736D+01
      4  -0.142511D+00  0.155729D+01  0.356859D+01  0.979435D+01  0.296995D+01
      5  -0.691318D+01 -0.835736D+01 -0.397752D+01  0.914309D+01  0.382096D+01
      6  -0.539029D+01 -0.111728D+02 -0.368040D+01  0.800979D+01  0.679955D+01
               421           422           423           424           425 
      1   0.124082D+02 -0.228415D+02 -0.178498D+02  0.323578D+02  0.907769D+01
      2  -0.112780D+02  0.294795D+02  0.146567D+02  0.763902D+01  0.243497D+02
      3  -0.113027D+01 -0.663803D+01  0.319317D+01 -0.399968D+02 -0.334274D+02
      4   0.455086D+01  0.103136D+02 -0.531230D+00  0.685822D+02  0.637869D+02
      5  -0.623296D+01  0.780937D+01  0.807812D+01 -0.129481D+02 -0.108961D+02
      6  -0.790161D+01  0.107224D+02  0.103178D+02 -0.837013D+01 -0.103737D+02
               426           427           428           429           430 
      1   0.315931D-01  0.867712D+01  0.650770D+00 -0.140844D+01  0.122083D+01
      2  -0.334662D+01  0.168817D+02  0.336000D+02 -0.699830D+00 -0.575332D+00
      3   0.331503D+01 -0.255589D+02 -0.342508D+02  0.210827D+01 -0.645496D+00
      4  -0.840864D+01  0.496437D+02  0.621069D+02 -0.666662D+01 -0.177087D+01
      5   0.835289D+01 -0.798553D+01 -0.763533D+01  0.702825D+01  0.748788D+01
      6   0.712665D+01 -0.657505D+01 -0.847257D+01  0.714721D+01  0.631334D+01
               431           432           433           434           435 
      1  -0.178137D+01 -0.101030D+01 -0.983709D+01  0.124259D+02 -0.149026D+02
      2   0.320574D+01  0.296750D+01  0.641379D+01 -0.893281D+01  0.288999D+01
      3  -0.142437D+01 -0.195720D+01  0.342330D+01 -0.349313D+01  0.120127D+02
      4  -0.980302D+00  0.936834D+01  0.884792D+00  0.197744D+01 -0.435653D+01
      5   0.886110D+01 -0.475569D+01 -0.259676D+01  0.129716D+01 -0.826773D+01
      6   0.942024D+01 -0.503536D+01 -0.638334D+01  0.464024D+01 -0.146330D+02
               436           437           438           439           440 
      1   0.125898D+01 -0.514257D+01  0.350923D+01 -0.847827D+01  0.174961D+02
      2  -0.581452D+00  0.255825D+01 -0.573113D+01  0.192722D+01 -0.149673D+02
      3  -0.677532D+00  0.258433D+01  0.222190D+01  0.655105D+01 -0.252879D+01
      4   0.118281D+01 -0.171829D+01 -0.466591D+01 -0.538081D+01 -0.109735D+02
      5  -0.101924D+01 -0.486025D+01  0.897478D+00 -0.459788D+00  0.111436D+02
      6  -0.448010D-01 -0.514146D+01  0.627519D+01 -0.588519D+01  0.191061D+02
               441           442           443           444           445 
      1  -0.351386D+02  0.422067D+00  0.435179D+01  0.922318D+01  0.281255D+01
      2   0.409554D+01 -0.346174D+01 -0.150272D+01 -0.595508D+01 -0.527889D+01
      3   0.310431D+02  0.303968D+01 -0.284907D+01 -0.326810D+01  0.246634D+01
      4   0.639133D+00  0.276175D+01  0.444587D+01  0.123202D+01  0.123640D+02
      5  -0.349386D+02  0.991573D+01  0.134141D+01  0.109943D+02  0.139979D+02
      6  -0.409335D+02  0.353859D+01  0.138757D+01  0.180296D-01  0.940350D+01
               446           447           448           449           450 
      1  -0.131055D+02 -0.186195D+02  0.404150D+01 -0.122164D+02 -0.180006D+02
      2   0.325596D+01 -0.662568D+01 -0.866943D+01 -0.323802D+01 -0.136284D+02
      3   0.984956D+01  0.252452D+02  0.462793D+01  0.154545D+02  0.316290D+02
      4   0.298202D+02  0.253173D+02  0.638495D+01  0.179125D+02  0.216180D+02
      5   0.269217D+02  0.401564D+02  0.191185D+02  0.222206D+02  0.445545D+02
      6   0.267094D+02  0.282354D+02  0.592029D+01  0.201045D+02  0.253758D+02
               451           452           453           454           455 
      1  -0.447578D+02 -0.183305D+02  0.140471D+02 -0.188581D+02 -0.120727D+02
      2   0.216098D+02  0.105561D+02  0.490827D+01  0.104270D+02  0.422598D+01
      3   0.231480D+02  0.777436D+01 -0.189554D+02  0.843110D+01  0.784670D+01
      4  -0.206395D+02 -0.951242D+01 -0.816077D+00 -0.561390D+01 -0.636467D+01
      5  -0.222862D+02 -0.110752D+02 -0.117221D+02 -0.110984D+02  0.164636D+01
      6  -0.693325D+01 -0.531300D+01  0.265846D+00 -0.286664D+01 -0.354433D+01
               456           457           458           459           460 
      1   0.191076D+01  0.901431D+00 -0.389552D+00 -0.114640D+02  0.346084D+02
      2   0.383366D+01  0.627362D+01  0.322322D+01  0.511645D+01 -0.296794D+02
      3  -0.574442D+01 -0.717505D+01 -0.283367D+01  0.634759D+01 -0.492903D+01
      4   0.640405D+01 -0.275866D+01  0.244747D+01 -0.468131D+01 -0.229850D+02
      5  -0.559826D+01 -0.743355D+01 -0.444529D+01 -0.598670D+01  0.423182D+02
      6   0.574259D+01  0.903840D-01  0.310640D+01 -0.903991D+00 -0.103457D+02
               461           462           463           464           465 
      1  -0.169666D+02  0.168784D+02 -0.241664D+02  0.106813D+02 -0.105434D+02
      2   0.141448D+02 -0.227780D+02  0.217285D+02 -0.132304D+02  0.188017D+02
      3   0.282181D+01  0.589961D+01  0.243795D+01  0.254910D+01 -0.825831D+01
      4   0.178959D+02 -0.150861D+02  0.261125D+02 -0.272995D+02  0.250026D+02
      5  -0.210786D+02  0.403957D+02 -0.340425D+02  0.293309D+02 -0.335921D+02
      6   0.867077D+01 -0.659378D+01  0.135058D+02 -0.140288D+02  0.155651D+02
               466           467           468           469           470 
      1   0.958864D+01 -0.479650D+01  0.906189D+01  0.131377D+02  0.787087D+01
      2  -0.174157D+02  0.909220D+01 -0.213438D+02 -0.588213D+01 -0.243745D+01
      3   0.782708D+01 -0.429570D+01  0.122819D+02 -0.725559D+01 -0.543341D+01
      4  -0.120183D+02  0.135591D+02 -0.133943D+02  0.108844D+02  0.104688D+02
      5   0.321349D+02 -0.159334D+02  0.371849D+02  0.140751D+02  0.482080D+01
      6  -0.629477D+01  0.966151D+01 -0.780489D+01  0.560995D+01  0.251856D+01
               471           472           473           474           475 
      1   0.110364D+02  0.211667D+02  0.754666D+01  0.297149D+00  0.276223D+02
      2  -0.571780D+01 -0.471633D+01  0.100523D+02  0.302564D+01 -0.155020D+02
      3  -0.531857D+01 -0.164503D+02 -0.175989D+02 -0.332279D+01 -0.121203D+02
      4   0.522027D+01  0.447025D+02  0.631719D+02  0.365880D+02  0.261840D+02
      5   0.913078D+01  0.242197D+02  0.372793D+02  0.338072D+02  0.356437D+02
      6   0.200401D+01  0.147818D+02  0.251448D+02  0.196058D+02  0.138760D+02
               476           477           478           479           480 
      1   0.129399D+01  0.799503D+01  0.113436D+03 -0.311554D+02  0.298405D+02
      2   0.250163D+01 -0.637603D+01 -0.694354D+02  0.196227D+02 -0.210034D+02
      3  -0.379562D+01 -0.161900D+01 -0.440002D+02  0.115327D+02 -0.883716D+01
      4   0.377627D+02  0.340739D+02 -0.264054D+02  0.162251D+02 -0.722444D+01
      5   0.338479D+02  0.402239D+02  0.423952D+02 -0.122080D+02  0.255155D+02
      6   0.199677D+02  0.199996D+02 -0.420226D+01  0.198244D+01  0.640665D+00
               481           482           483           484           485 
      1  -0.101670D+03  0.282794D+02 -0.261131D+02  0.459157D+02 -0.102848D+02
      2   0.618805D+02 -0.187112D+02  0.196203D+02 -0.327543D+02  0.897460D+01
      3   0.397897D+02 -0.956814D+01  0.649273D+01 -0.131614D+02  0.131021D+01
      4   0.285889D+02 -0.247591D+02  0.138515D+02 -0.699712D+01  0.119293D+02
      5  -0.414194D+02  0.168079D+02 -0.204265D+02  0.438397D+02 -0.575707D+01
      6   0.392074D+01 -0.359683D+01  0.342077D+01  0.229709D+01  0.426601D+01
               486           487           488           489           490 
      1   0.281484D+02  0.445028D+02  0.996410D+01 -0.238187D+02  0.995203D+01
      2  -0.204170D+02 -0.183785D+02 -0.113825D+01  0.829410D+01  0.139511D+01
      3  -0.773147D+01 -0.261243D+02 -0.882585D+01  0.155246D+02 -0.113471D+02
      4  -0.281461D+01  0.176536D+02  0.143310D+02 -0.141200D+02  0.231725D+02
      5   0.244607D+02 -0.214700D+02 -0.101529D+02  0.189916D+02 -0.116906D+02
      6   0.424206D+00 -0.623334D+01 -0.208367D+01  0.386548D+01 -0.116233D+01
               491           492           493           494           495 
      1   0.137551D+02 -0.113240D+02 -0.542172D+02 -0.181507D+02  0.225917D+02
      2  -0.131977D+01  0.189026D+01  0.211659D+02  0.361883D+01 -0.553951D+01
      3  -0.124354D+02  0.943376D+01  0.330513D+02  0.145319D+02 -0.170522D+02
      4   0.201138D+02 -0.981172D+01 -0.273021D+02 -0.175909D+02  0.189306D+02
      5  -0.674317D+01  0.145276D+02  0.232028D+02  0.145375D+02 -0.481622D+02
      6  -0.135473D+01  0.622798D+01  0.522644D+01  0.517191D+01 -0.112156D+02
               496           497           498           499           500 
      1   0.177224D+03  0.280769D+01 -0.398560D+02  0.352477D+01  0.114344D+02
      2  -0.105770D+03 -0.134490D+01  0.284777D+02 -0.163510D+01 -0.537801D+01
      3  -0.714543D+02 -0.146279D+01  0.113783D+02 -0.188967D+01 -0.605643D+01
      4   0.888609D+01  0.142694D+02 -0.602838D+00  0.188585D+02  0.656990D+00
      5  -0.746890D+02 -0.860177D+00  0.366938D+02  0.650836D+00 -0.665719D+01
      6  -0.184983D+01 -0.328832D+01  0.207798D+01 -0.445003D+01 -0.105710D+01
               501           502           503           504           505 
      1   0.278810D+00 -0.255340D+02 -0.834073D-01  0.193496D+02  0.709511D+01
      2  -0.907316D+00  0.207109D+02 -0.186330D+01 -0.155367D+02 -0.699484D+01
      3   0.628506D+00  0.482313D+01  0.194670D+01 -0.381296D+01 -0.100263D+00
      4  -0.586380D+01  0.349113D+00 -0.454018D+00 -0.368562D+00 -0.266151D+01
      5  -0.938635D+00  0.298339D+02 -0.788127D+00 -0.163935D+02 -0.932086D+01
      6   0.323173D+01  0.258884D+01  0.181503D+01  0.832040D-01  0.987910D+00
               506           507           508           509           510 
      1  -0.553352D+01 -0.172579D+02 -0.624519D+01 -0.977738D+01 -0.774067D+01
      2   0.102041D+00  0.164069D+01  0.592138D+01  0.346217D+00 -0.732934D+01
      3   0.543148D+01  0.156173D+02  0.323806D+00  0.943117D+01  0.150700D+02
      4  -0.573973D+01 -0.581342D+01  0.233146D+01 -0.157940D+02 -0.182966D+02
      5  -0.376740D+01 -0.113396D+02  0.723015D+01 -0.157132D+02 -0.287856D+02
      6   0.241401D+01  0.110062D+01 -0.442794D+00  0.715345D+01  0.871436D+01
               511           512           513           514           515 
      1  -0.758683D+01 -0.585177D+01 -0.213352D+02 -0.193406D+02  0.187512D+02
      2   0.664006D+01 -0.625936D+01 -0.168935D+02  0.966976D+01 -0.924114D+01
      3   0.946772D+00  0.121111D+02  0.382287D+02  0.967082D+01 -0.951007D+01
      4   0.476387D+01 -0.147674D+02 -0.233098D+02  0.286426D+01 -0.326160D+00
      5   0.118489D+02 -0.208712D+02 -0.553714D+02 -0.450761D+01  0.548605D+01
      6  -0.137833D+01  0.725301D+01  0.803796D+01 -0.805387D+01  0.913856D+01
               516           517           518           519           520 
      1  -0.304772D+02  0.695590D+01 -0.948863D+01  0.109436D+02 -0.117007D+02
      2   0.763041D+01 -0.253978D+01  0.647084D+01 -0.731926D+01  0.266894D+01
      3   0.228468D+02 -0.441612D+01  0.301779D+01 -0.362432D+01  0.903179D+01
      4   0.198866D+01  0.698649D+01  0.989693D+01 -0.889128D+01 -0.104503D+01
      5  -0.183189D+02 -0.756551D+00 -0.958443D+01  0.686832D+01 -0.955343D-01
      6  -0.176250D+02  0.317411D+00 -0.106456D+02  0.114437D+02 -0.422077D+01
               521           522           523           524           525 
      1   0.164026D+02 -0.362202D+02  0.466883D+02  0.264629D+02 -0.940024D+01
      2  -0.688645D+01  0.423637D+01 -0.151626D+02 -0.103008D+01  0.382864D+01
      3  -0.951619D+01  0.319838D+02 -0.315257D+02 -0.254329D+02  0.557160D+01
      4  -0.809917D+01  0.604052D+01  0.577866D+02  0.540998D+02 -0.147967D+02
      5   0.111677D+02 -0.290132D+02 -0.255285D+02 -0.174053D+02  0.166625D+02
      6   0.145766D+02 -0.235916D+02 -0.155381D+02 -0.142347D+02  0.792117D+01
               526           527           528           529           530 
      1   0.321499D+02  0.199284D+02 -0.412782D+01  0.587542D+01  0.280011D+01
      2  -0.806098D+00  0.124629D+02 -0.695862D+00 -0.130967D+01  0.156938D+00
      3  -0.313438D+02 -0.323913D+02  0.482368D+01 -0.456575D+01 -0.295705D+01
      4   0.690247D+02  0.747848D+02 -0.229081D+02  0.723837D+00 -0.766963D+01
      5  -0.270578D+02 -0.270464D+02  0.182078D+02  0.868004D+01  0.117333D+02
      6  -0.213320D+02 -0.239576D+02  0.141348D+02  0.428639D+01  0.912041D+01
               531           532           533           534           535 
      1   0.456263D+00  0.523001D+02 -0.284652D+02  0.464227D+01 -0.360688D+02
      2   0.125784D+01 -0.245372D+02  0.127196D+02 -0.224111D+01  0.132992D+02
      3  -0.171410D+01 -0.277628D+02  0.157456D+02 -0.240116D+01  0.227696D+02
      4   0.120455D+02 -0.400344D+02  0.285962D+02 -0.416696D+01  0.458385D+02
      5  -0.715958D+01  0.596378D+01 -0.389680D+01  0.113926D+02 -0.524986D+01
      6  -0.618120D+01 -0.142772D+01  0.765737D+00 -0.114812D+01  0.159430D+01
               536           537           538           539           540 
      1   0.201481D+02 -0.330800D+01  0.149260D+02 -0.663043D+01  0.106804D+02
      2  -0.119657D+01  0.880875D+00 -0.756334D+01  0.288041D+01 -0.710646D+01
      3  -0.189516D+02  0.242712D+01 -0.736263D+01  0.375002D+01 -0.357391D+01
      4  -0.531127D+02  0.673524D+01 -0.119107D+02  0.861819D+01 -0.869266D+01
      5   0.617033D+01 -0.557822D+01  0.213733D+02 -0.777991D+01  0.587647D+01
      6  -0.994049D+00  0.331730D+01 -0.228891D+01  0.431590D+01 -0.116892D+01
               541           542           543           544           545 
      1   0.324494D+02  0.911808D+01 -0.407217D-02  0.869156D+01  0.703955D+00
      2   0.758740D+01  0.243255D+02  0.333718D+01  0.168542D+02  0.335134D+02
      3  -0.400368D+02 -0.334436D+02 -0.333310D+01 -0.255457D+02 -0.342174D+02
      4   0.686558D+02  0.638180D+02  0.843170D+01  0.496309D+02  0.620521D+02
      5   0.129734D+02  0.108992D+02  0.836263D+01  0.798883D+01  0.763355D+01
      6   0.838317D+01  0.103749D+02  0.712378D+01  0.658037D+01  0.846119D+01
               546           547           548           549           550 
      1   0.141753D+01 -0.119992D+01  0.178192D+01 -0.100776D+01 -0.211333D+02
      2   0.696680D+00  0.584116D+00 -0.317932D+01  0.297553D+01  0.235143D+02
      3  -0.211421D+01  0.615805D+00  0.139739D+01 -0.196777D+01 -0.238098D+01
      4   0.667609D+01  0.182104D+01  0.102919D+01  0.938038D+01 -0.312430D+01
      5   0.703256D+01  0.750536D+01  0.887583D+01  0.476340D+01 -0.524100D+01
      6   0.714914D+01  0.632001D+01  0.943399D+01  0.504144D+01 -0.515638D+01
               551           552           553           554           555 
      1   0.334207D+02 -0.998102D+01  0.154192D+02 -0.307743D+02  0.112194D+02
      2  -0.361505D+02  0.118723D+02 -0.148923D+02  0.413651D+02 -0.134998D+02
      3   0.272983D+01 -0.189131D+01 -0.526974D+00 -0.105908D+02  0.228038D+01
      4  -0.158749D+00 -0.153685D+01  0.356547D+01  0.984875D+01 -0.299536D+01
      5   0.692508D+01 -0.836683D+01  0.397649D+01 -0.917375D+01  0.385085D+01
      6   0.542961D+01 -0.111870D+02  0.369678D+01 -0.806452D+01  0.683777D+01
               556           557           558           559           560 
      1  -0.124065D+02  0.229089D+02 -0.179061D+02 -0.986590D+01  0.124692D+02
      2   0.112762D+02 -0.295612D+02  0.147208D+02  0.643237D+01 -0.898270D+01
      3   0.113029D+01  0.665229D+01  0.318529D+01  0.343353D+01 -0.348646D+01
      4  -0.453813D+01 -0.103631D+02 -0.498545D+00  0.866766D+00  0.195048D+01
      5  -0.623485D+01  0.785447D+01 -0.813325D+01  0.260350D+01 -0.130541D+01
      6  -0.790990D+01  0.107816D+02 -0.103842D+02  0.640435D+01 -0.466041D+01
               561           562           563           564           565 
      1   0.149338D+02  0.127832D+01 -0.517595D+01 -0.352913D+01  0.850356D+01
      2  -0.291363D+01 -0.604306D+00  0.258843D+01  0.573453D+01 -0.193147D+01
      3  -0.120201D+02 -0.674013D+00  0.258752D+01 -0.220540D+01 -0.657209D+01
      4   0.436597D+01  0.117250D+01 -0.171801D+01  0.466298D+01  0.539475D+01
      5  -0.829923D+01  0.101861D+01  0.486242D+01  0.922547D+00 -0.496163D+00
      6  -0.146673D+02  0.342772D-01  0.515576D+01  0.630006D+01 -0.591757D+01
               566           567 
      1  -0.175032D+02 -0.351318D+02
      2   0.149862D+02  0.417005D+01
      3   0.251700D+01  0.309618D+02
      4   0.109728D+02  0.622921D+00
      5   0.111452D+02  0.348640D+02
      6   0.191091D+02  0.408718D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.379361D+03      0.562155D+02      0.625481D+02
   aniso      0.265999D+03      0.394170D+02      0.438573D+02
   xx         0.543181D+03      0.804911D+02      0.895584D+02
   yx         0.380827D+02      0.564327D+01      0.627899D+01
   yy         0.342251D+03      0.507164D+02      0.564296D+02
   zx        -0.137341D-01     -0.203518D-02     -0.226444D-02
   zy        -0.183699D-02     -0.272214D-03     -0.302879D-03
   zz         0.252650D+03      0.374389D+02      0.416564D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.379361D+03      0.562155D+02      0.625481D+02
   aniso      0.265999D+03      0.394170D+02      0.438573D+02
   xx         0.543180D+03      0.804909D+02      0.895582D+02
   yx         0.380833D+02      0.564337D+01      0.627910D+01
   yy         0.342251D+03      0.507164D+02      0.564296D+02
   zx         0.541880D+00      0.802983D-01      0.893439D-01
   zy        -0.102686D+00     -0.152165D-01     -0.169307D-01
   zz         0.252651D+03      0.374391D+02      0.416566D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-25\Freq\UB3LYP\Gen\C24H28Cu1F6O4(2)\PIERPA\24-Jul-202
 1\0\\#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF
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 ART, GLORY, FREEDOM FAIL, BUT NATURE STILL IS FAIR.

                                           -- BYRON
 Job cpu time:      24 days  8 hours 25 minutes 34.3 seconds.
 Elapsed time:       2 days  1 hours  0 minutes 49.4 seconds.
 File lengths (MBytes):  RWF=  13665 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 18:39:26 2021.
